REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2g28_1_A DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.131 176.117 0.024 0.000 1.063 56 I CA 0.000 61.311 61.300 0.019 0.000 1.566 56 I CB 0.000 38.015 38.000 0.025 0.000 1.214 57 S N 4.232 119.945 115.700 0.023 0.000 2.713 57 S HA 0.526 4.995 4.470 -0.001 0.000 0.277 57 S C 0.013 174.648 174.600 0.058 0.000 1.168 57 S CA -0.880 57.337 58.200 0.028 0.000 0.994 57 S CB 1.093 64.299 63.200 0.009 0.000 1.054 57 S HN 0.557 nan 8.310 nan 0.000 0.555 58 N N 0.044 118.784 118.700 0.067 0.000 2.340 58 N HA 0.021 4.760 4.740 -0.001 0.000 0.236 58 N C -0.786 174.817 175.510 0.156 0.000 1.296 58 N CA 0.174 53.294 53.050 0.116 0.000 0.896 58 N CB -0.140 38.412 38.487 0.108 0.000 1.127 58 N HN 0.704 nan 8.380 nan 0.000 0.442 59 Y N 1.722 122.061 120.300 0.064 0.000 2.971 59 Y HA 0.235 4.784 4.550 -0.001 0.000 0.384 59 Y C 0.286 176.269 175.900 0.138 0.000 1.166 59 Y CA -0.245 57.886 58.100 0.052 0.000 1.973 59 Y CB -0.802 37.736 38.460 0.128 0.000 2.082 59 Y HN 0.295 nan 8.280 nan 0.000 0.420 60 I N -2.646 117.933 120.570 0.016 0.000 3.279 60 I HA 0.522 4.691 4.170 -0.001 0.000 0.315 60 I C -0.653 175.406 176.117 -0.098 0.000 1.187 60 I CA -1.629 59.711 61.300 0.066 0.000 0.953 60 I CB 1.445 39.544 38.000 0.165 0.000 1.279 60 I HN -0.188 nan 8.210 nan 0.000 0.465 61 N N 1.806 120.475 118.700 -0.052 0.000 2.407 61 N HA 0.082 4.821 4.740 -0.001 0.000 0.250 61 N C 0.796 176.270 175.510 -0.059 0.000 1.236 61 N CA 0.112 53.107 53.050 -0.091 0.000 0.879 61 N CB 0.843 39.318 38.487 -0.021 0.000 1.088 61 N HN 0.683 nan 8.380 nan 0.000 0.450 62 T N 1.223 115.724 114.554 -0.089 0.000 2.857 62 T HA 0.060 4.409 4.350 -0.001 0.000 0.266 62 T C 1.031 175.711 174.700 -0.033 0.000 1.048 62 T CA 0.770 62.831 62.100 -0.064 0.000 1.139 62 T CB 0.017 68.831 68.868 -0.090 0.000 0.874 62 T HN 0.416 nan 8.240 nan 0.000 0.455 63 I N 4.171 124.723 120.570 -0.029 0.000 2.287 63 I HA 0.224 4.393 4.170 -0.001 0.000 0.290 63 I C -2.098 174.036 176.117 0.027 0.000 1.069 63 I CA -2.401 58.899 61.300 -0.001 0.000 1.237 63 I CB 0.952 38.951 38.000 -0.002 0.000 1.418 63 I HN 0.028 nan 8.210 nan 0.000 0.481 64 P HA -0.031 nan 4.420 nan 0.000 0.269 64 P C 0.949 178.290 177.300 0.068 0.000 1.215 64 P CA -0.086 63.048 63.100 0.057 0.000 0.780 64 P CB 1.877 33.608 31.700 0.051 0.000 0.898 65 V N 2.004 121.968 119.914 0.084 0.000 2.469 65 V HA -0.254 3.865 4.120 -0.001 0.000 0.251 65 V C 2.023 178.163 176.094 0.077 0.000 1.064 65 V CA 2.174 64.527 62.300 0.089 0.000 1.066 65 V CB -1.115 30.768 31.823 0.102 0.000 0.667 65 V HN 0.501 nan 8.190 nan 0.000 0.461 66 E N 0.067 120.307 120.200 0.067 0.000 2.333 66 E HA -0.155 4.195 4.350 -0.001 0.000 0.198 66 E C 1.851 178.483 176.600 0.053 0.000 1.007 66 E CA 1.141 57.575 56.400 0.057 0.000 0.845 66 E CB -0.082 29.648 29.700 0.049 0.000 0.766 66 E HN 0.744 nan 8.360 nan 0.000 0.507 67 E N -0.297 119.937 120.200 0.055 0.000 2.583 67 E HA 0.046 4.395 4.350 -0.001 0.000 0.213 67 E C -0.002 176.637 176.600 0.065 0.000 0.989 67 E CA -0.175 56.256 56.400 0.051 0.000 0.991 67 E CB 0.503 30.226 29.700 0.038 0.000 1.040 67 E HN 0.131 nan 8.360 nan 0.000 0.481 68 Q N 3.140 122.988 119.800 0.081 0.000 2.307 68 Q HA 0.158 4.497 4.340 -0.001 0.000 0.259 68 Q C -2.134 173.945 176.000 0.131 0.000 0.998 68 Q CA -2.022 53.847 55.803 0.111 0.000 0.923 68 Q CB 0.649 29.458 28.738 0.117 0.000 1.196 68 Q HN -0.066 nan 8.270 nan 0.000 0.416 69 P HA 0.020 nan 4.420 nan 0.000 0.270 69 P C -0.582 176.824 177.300 0.177 0.000 1.223 69 P CA -0.069 63.136 63.100 0.175 0.000 0.785 69 P CB 0.694 32.533 31.700 0.232 0.000 0.923 70 E N 0.523 120.786 120.200 0.105 0.000 2.384 70 E HA -0.009 4.341 4.350 -0.001 0.000 0.266 70 E C -0.449 176.131 176.600 -0.033 0.000 1.012 70 E CA 0.014 56.448 56.400 0.057 0.000 0.901 70 E CB 0.049 29.762 29.700 0.021 0.000 0.967 70 E HN 0.389 nan 8.360 nan 0.000 0.435 71 Y N 5.441 125.625 120.300 -0.194 0.000 2.402 71 Y HA 0.084 4.633 4.550 -0.001 0.000 0.333 71 Y C -1.182 174.466 175.900 -0.421 0.000 1.076 71 Y CA -1.581 56.241 58.100 -0.464 0.000 1.299 71 Y CB 0.891 39.188 38.460 -0.272 0.000 1.197 71 Y HN 0.366 nan 8.280 nan 0.000 0.517 72 P HA 0.113 nan 4.420 nan 0.000 0.240 72 P C 0.410 177.475 177.300 -0.391 0.000 1.190 72 P CA 0.516 63.249 63.100 -0.612 0.000 0.781 72 P CB 0.430 31.777 31.700 -0.587 0.000 0.931 73 G N 0.683 109.142 108.800 -0.568 0.000 2.535 73 G HA2 0.161 4.120 3.960 -0.001 0.000 0.303 73 G HA3 0.161 4.120 3.960 -0.001 0.000 0.303 73 G C -0.526 174.548 174.900 0.291 0.000 1.237 73 G CA -0.424 44.771 45.100 0.158 0.000 0.986 73 G HN 0.057 nan 8.290 nan 0.000 0.494 74 N N 0.644 119.508 118.700 0.274 0.000 2.645 74 N HA 0.124 4.864 4.740 -0.001 0.000 0.233 74 N C 1.664 177.198 175.510 0.040 0.000 1.058 74 N CA -0.317 52.779 53.050 0.076 0.000 0.942 74 N CB 0.616 39.042 38.487 -0.102 0.000 1.210 74 N HN 0.398 nan 8.380 nan 0.000 0.512 75 L N 1.059 122.340 121.223 0.097 0.000 2.021 75 L HA -0.189 4.151 4.340 -0.001 0.000 0.215 75 L C 2.291 179.150 176.870 -0.018 0.000 1.074 75 L CA 1.294 56.149 54.840 0.024 0.000 0.760 75 L CB -0.234 41.799 42.059 -0.043 0.000 0.889 75 L HN 0.534 nan 8.230 nan 0.000 0.433 76 E N 0.344 120.523 120.200 -0.034 0.000 2.106 76 E HA -0.226 4.123 4.350 -0.001 0.000 0.192 76 E C 2.152 178.699 176.600 -0.088 0.000 0.984 76 E CA 1.193 57.568 56.400 -0.042 0.000 0.806 76 E CB -0.007 29.672 29.700 -0.035 0.000 0.750 76 E HN 0.288 nan 8.360 nan 0.000 0.458 77 L N 1.563 122.679 121.223 -0.179 0.000 2.072 77 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 77 L C 1.985 178.687 176.870 -0.279 0.000 1.079 77 L CA 1.676 56.342 54.840 -0.290 0.000 0.752 77 L CB -0.453 41.298 42.059 -0.512 0.000 0.906 77 L HN 0.039 nan 8.230 nan 0.000 0.436 78 E N -0.856 119.198 120.200 -0.243 0.000 2.077 78 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 78 E C 2.214 178.823 176.600 0.014 0.000 0.989 78 E CA 0.732 57.087 56.400 -0.075 0.000 0.800 78 E CB -0.182 29.563 29.700 0.074 0.000 0.746 78 E HN 0.279 nan 8.360 nan 0.000 0.452 79 R N 1.274 121.786 120.500 0.020 0.000 2.096 79 R HA -0.089 4.250 4.340 -0.001 0.000 0.235 79 R C 2.085 178.440 176.300 0.092 0.000 1.127 79 R CA 1.196 57.342 56.100 0.076 0.000 0.968 79 R CB -0.151 30.193 30.300 0.072 0.000 0.861 79 R HN 0.115 nan 8.270 nan 0.000 0.440 80 R N -0.175 120.349 120.500 0.041 0.000 2.081 80 R HA -0.047 4.292 4.340 -0.001 0.000 0.235 80 R C 2.403 178.799 176.300 0.161 0.000 1.131 80 R CA 1.488 57.634 56.100 0.078 0.000 0.960 80 R CB -0.227 30.067 30.300 -0.009 0.000 0.856 80 R HN 0.228 nan 8.270 nan 0.000 0.436 81 I N -0.222 120.382 120.570 0.056 0.000 2.202 81 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 81 I C 2.667 178.931 176.117 0.244 0.000 1.091 81 I CA 1.062 62.456 61.300 0.156 0.000 1.368 81 I CB -0.247 37.764 38.000 0.017 0.000 1.058 81 I HN 0.110 nan 8.210 nan 0.000 0.410 82 R N 0.663 121.265 120.500 0.170 0.000 2.105 82 R HA -0.162 4.178 4.340 -0.001 0.000 0.239 82 R C 2.383 178.781 176.300 0.162 0.000 1.135 82 R CA 1.788 57.988 56.100 0.167 0.000 0.967 82 R CB -0.097 30.288 30.300 0.141 0.000 0.861 82 R HN 0.207 nan 8.270 nan 0.000 0.442 83 S N 0.101 115.909 115.700 0.180 0.000 2.382 83 S HA -0.122 4.348 4.470 -0.001 0.000 0.228 83 S C 1.887 176.614 174.600 0.213 0.000 1.027 83 S CA 1.128 59.434 58.200 0.176 0.000 0.991 83 S CB -0.127 63.206 63.200 0.222 0.000 0.823 83 S HN 0.575 nan 8.310 nan 0.000 0.469 84 A N 1.362 124.337 122.820 0.257 0.000 1.898 84 A HA -0.007 4.313 4.320 -0.001 0.000 0.216 84 A C 2.032 179.779 177.584 0.272 0.000 1.181 84 A CA 1.080 53.256 52.037 0.232 0.000 0.620 84 A CB -0.638 18.469 19.000 0.178 0.000 0.819 84 A HN 0.497 nan 8.150 nan 0.000 0.442 85 I N -0.955 119.770 120.570 0.258 0.000 2.252 85 I HA -0.254 3.915 4.170 -0.001 0.000 0.245 85 I C 2.768 179.057 176.117 0.287 0.000 1.102 85 I CA 1.223 62.671 61.300 0.247 0.000 1.385 85 I CB -0.366 37.781 38.000 0.243 0.000 1.064 85 I HN 0.292 nan 8.210 nan 0.000 0.414 86 R N 0.040 120.689 120.500 0.249 0.000 2.073 86 R HA -0.216 4.123 4.340 -0.001 0.000 0.234 86 R C 2.269 178.689 176.300 0.201 0.000 1.134 86 R CA 1.854 58.067 56.100 0.187 0.000 0.952 86 R CB -0.550 29.659 30.300 -0.153 0.000 0.850 86 R HN 0.551 nan 8.270 nan 0.000 0.433 87 W N 2.309 123.635 121.300 0.044 0.000 2.333 87 W HA -0.207 4.453 4.660 -0.001 0.000 0.316 87 W C 1.225 177.788 176.519 0.075 0.000 1.215 87 W CA 1.456 58.837 57.345 0.060 0.000 1.278 87 W CB -0.327 29.172 29.460 0.065 0.000 1.154 87 W HN 0.115 nan 8.180 nan 0.000 0.486 88 N N 0.852 119.698 118.700 0.243 0.000 2.166 88 N HA -0.160 4.579 4.740 -0.001 0.000 0.186 88 N C 1.877 177.375 175.510 -0.021 0.000 1.019 88 N CA 2.173 55.306 53.050 0.139 0.000 0.856 88 N CB -1.060 37.532 38.487 0.175 0.000 0.993 88 N HN 0.197 nan 8.380 nan 0.000 0.426 89 A N 1.264 124.074 122.820 -0.017 0.000 1.883 89 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 89 A C 2.342 179.846 177.584 -0.132 0.000 1.186 89 A CA 1.049 53.022 52.037 -0.106 0.000 0.624 89 A CB -0.718 18.263 19.000 -0.033 0.000 0.822 89 A HN 0.226 nan 8.150 nan 0.000 0.444 90 I N -0.727 119.779 120.570 -0.107 0.000 2.226 90 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 90 I C 2.542 178.490 176.117 -0.282 0.000 1.100 90 I CA 1.056 62.254 61.300 -0.171 0.000 1.374 90 I CB -0.311 37.586 38.000 -0.173 0.000 1.057 90 I HN 0.266 nan 8.210 nan 0.000 0.413 91 M N -0.016 119.347 119.600 -0.395 0.000 2.159 91 M HA -0.150 4.329 4.480 -0.001 0.000 0.263 91 M C 2.408 178.594 176.300 -0.190 0.000 1.063 91 M CA 1.816 56.872 55.300 -0.406 0.000 1.110 91 M CB -1.615 30.683 32.600 -0.503 0.000 1.374 91 M HN 0.218 nan 8.290 nan 0.000 0.411 92 T N 0.868 115.372 114.554 -0.083 0.000 2.708 92 T HA -0.085 4.265 4.350 -0.001 0.000 0.266 92 T C 2.074 176.642 174.700 -0.220 0.000 1.037 92 T CA 1.480 63.506 62.100 -0.123 0.000 1.146 92 T CB -0.323 68.333 68.868 -0.354 0.000 0.865 92 T HN 0.162 nan 8.240 nan 0.000 0.435 93 V N 1.366 121.113 119.914 -0.277 0.000 2.358 93 V HA -0.069 4.051 4.120 -0.001 0.000 0.246 93 V C 2.498 178.567 176.094 -0.042 0.000 1.047 93 V CA 1.336 63.554 62.300 -0.138 0.000 1.035 93 V CB -0.669 31.096 31.823 -0.098 0.000 0.658 93 V HN 0.416 nan 8.190 nan 0.000 0.452 94 L N -0.610 120.555 121.223 -0.097 0.000 2.093 94 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 94 L C 2.840 179.667 176.870 -0.072 0.000 1.085 94 L CA 1.525 56.312 54.840 -0.087 0.000 0.755 94 L CB -0.514 41.459 42.059 -0.143 0.000 0.904 94 L HN 0.249 nan 8.230 nan 0.000 0.435 95 R N -0.279 120.167 120.500 -0.091 0.000 2.096 95 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 95 R C 2.372 178.671 176.300 -0.003 0.000 1.127 95 R CA 1.307 57.366 56.100 -0.069 0.000 0.968 95 R CB -0.390 29.860 30.300 -0.085 0.000 0.861 95 R HN 0.348 nan 8.270 nan 0.000 0.440 96 A N 0.561 123.414 122.820 0.054 0.000 1.898 96 A HA -0.119 4.200 4.320 -0.001 0.000 0.216 96 A C 2.224 179.840 177.584 0.052 0.000 1.181 96 A CA 1.540 53.639 52.037 0.104 0.000 0.620 96 A CB -0.370 18.794 19.000 0.272 0.000 0.819 96 A HN 0.205 nan 8.150 nan 0.000 0.442 97 S N 0.027 115.750 115.700 0.039 0.000 2.370 97 S HA -0.170 4.300 4.470 -0.001 0.000 0.226 97 S C 1.867 176.467 174.600 -0.000 0.000 1.033 97 S CA 1.590 59.800 58.200 0.016 0.000 1.011 97 S CB -0.268 62.936 63.200 0.006 0.000 0.852 97 S HN 0.605 nan 8.310 nan 0.000 0.457 98 K N 1.042 121.435 120.400 -0.011 0.000 2.281 98 K HA -0.072 4.247 4.320 -0.001 0.000 0.203 98 K C 1.853 178.445 176.600 -0.014 0.000 1.046 98 K CA 0.877 57.153 56.287 -0.018 0.000 0.938 98 K CB -0.118 32.363 32.500 -0.031 0.000 0.737 98 K HN 0.331 nan 8.250 nan 0.000 0.458 99 K N 0.654 121.049 120.400 -0.008 0.000 2.283 99 K HA -0.126 4.194 4.320 -0.001 0.000 0.202 99 K C 0.201 176.795 176.600 -0.009 0.000 1.048 99 K CA 0.722 57.003 56.287 -0.010 0.000 0.948 99 K CB -0.062 32.433 32.500 -0.008 0.000 0.742 99 K HN 0.042 nan 8.250 nan 0.000 0.458 100 D N 0.171 120.567 120.400 -0.006 0.000 2.699 100 D HA -0.172 4.467 4.640 -0.001 0.000 0.239 100 D C -0.435 175.861 176.300 -0.007 0.000 1.136 100 D CA 0.460 54.457 54.000 -0.006 0.000 0.668 100 D CB -1.099 39.697 40.800 -0.007 0.000 1.060 100 D HN 0.204 nan 8.370 nan 0.000 0.429 101 L N 0.494 121.713 121.223 -0.007 0.000 3.014 101 L HA 0.189 4.528 4.340 -0.001 0.000 0.263 101 L C 0.767 177.630 176.870 -0.010 0.000 1.207 101 L CA -0.360 54.474 54.840 -0.010 0.000 1.017 101 L CB 0.270 42.321 42.059 -0.013 0.000 1.360 101 L HN 0.017 nan 8.230 nan 0.000 0.560 102 E N 0.284 120.480 120.200 -0.007 0.000 2.476 102 E HA -0.242 4.107 4.350 -0.001 0.000 0.251 102 E C 1.043 177.634 176.600 -0.015 0.000 1.130 102 E CA 0.482 56.877 56.400 -0.007 0.000 0.736 102 E CB -1.654 28.043 29.700 -0.005 0.000 1.298 102 E HN 0.526 nan 8.360 nan 0.000 0.400 103 L N -0.956 120.255 121.223 -0.020 0.000 2.109 103 L HA -0.040 4.299 4.340 -0.001 0.000 0.207 103 L C 1.584 178.423 176.870 -0.052 0.000 1.086 103 L CA 1.194 56.004 54.840 -0.049 0.000 0.760 103 L CB -0.418 41.608 42.059 -0.055 0.000 0.910 103 L HN 0.511 nan 8.230 nan 0.000 0.437 104 G N -0.753 108.040 108.800 -0.010 0.000 2.660 104 G HA2 0.206 4.166 3.960 -0.001 0.000 0.215 104 G HA3 0.206 4.166 3.960 -0.001 0.000 0.215 104 G C -0.055 174.884 174.900 0.065 0.000 1.345 104 G CA -0.431 44.662 45.100 -0.011 0.000 0.877 104 G HN 0.857 nan 8.290 nan 0.000 0.549 105 G N -1.749 107.060 108.800 0.014 0.000 2.335 105 G HA2 0.552 4.511 3.960 -0.001 0.000 0.592 105 G HA3 0.552 4.511 3.960 -0.001 0.000 0.592 105 G C -0.956 173.927 174.900 -0.027 0.000 1.442 105 G CA 0.238 45.462 45.100 0.207 0.000 0.976 105 G HN 1.580 nan 8.290 nan 0.000 0.652 106 H N 0.301 119.521 119.070 0.250 0.000 2.731 106 H HA 0.695 5.250 4.556 -0.001 0.000 0.368 106 H C 0.727 176.160 175.328 0.174 0.000 1.168 106 H CA -0.815 55.368 56.048 0.225 0.000 1.181 106 H CB 2.097 32.050 29.762 0.318 0.000 1.743 106 H HN 0.470 nan 8.280 nan 0.000 0.547 107 M N 0.055 119.827 119.600 0.288 0.000 2.504 107 M HA 0.157 4.636 4.480 -0.001 0.000 0.222 107 M C 2.247 178.702 176.300 0.259 0.000 1.566 107 M CA 0.597 56.034 55.300 0.229 0.000 1.099 107 M CB 0.311 32.997 32.600 0.144 0.000 1.428 107 M HN 0.637 nan 8.290 nan 0.000 0.556 108 A N 0.248 123.216 122.820 0.246 0.000 1.917 108 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 108 A C 2.209 179.938 177.584 0.240 0.000 1.182 108 A CA 2.550 54.726 52.037 0.232 0.000 0.633 108 A CB -0.926 18.201 19.000 0.212 0.000 0.819 108 A HN 0.461 nan 8.150 nan 0.000 0.448 109 S N -1.656 114.203 115.700 0.264 0.000 2.355 109 S HA -0.148 4.321 4.470 -0.001 0.000 0.222 109 S C 1.778 176.509 174.600 0.217 0.000 1.031 109 S CA 1.571 59.897 58.200 0.211 0.000 0.993 109 S CB -0.507 62.777 63.200 0.140 0.000 0.859 109 S HN 0.606 nan 8.310 nan 0.000 0.453 110 F N 2.394 122.406 119.950 0.104 0.000 2.216 110 F HA 0.015 4.541 4.527 -0.001 0.000 0.300 110 F C 2.448 178.342 175.800 0.156 0.000 1.085 110 F CA 1.501 59.569 58.000 0.113 0.000 1.326 110 F CB -0.602 38.435 39.000 0.062 0.000 1.027 110 F HN 0.218 nan 8.300 nan 0.000 0.497 111 Q N 0.153 119.985 119.800 0.053 0.000 2.170 111 Q HA -0.165 4.174 4.340 -0.001 0.000 0.203 111 Q C 2.578 178.652 176.000 0.124 0.000 0.976 111 Q CA 1.743 57.562 55.803 0.026 0.000 0.858 111 Q CB -0.716 28.138 28.738 0.194 0.000 0.907 111 Q HN 0.595 nan 8.270 nan 0.000 0.433 112 S N -0.468 115.319 115.700 0.144 0.000 2.436 112 S HA -0.045 4.424 4.470 -0.001 0.000 0.228 112 S C 1.875 176.445 174.600 -0.049 0.000 1.014 112 S CA 1.083 59.367 58.200 0.140 0.000 0.950 112 S CB -0.046 63.235 63.200 0.135 0.000 0.784 112 S HN 0.312 nan 8.310 nan 0.000 0.504 113 S N 0.384 116.071 115.700 -0.023 0.000 2.539 113 S HA 0.598 5.067 4.470 -0.001 0.000 0.221 113 S C 1.800 176.416 174.600 0.027 0.000 0.987 113 S CA 0.160 58.362 58.200 0.004 0.000 0.929 113 S CB 0.029 63.342 63.200 0.187 0.000 0.832 113 S HN 0.641 nan 8.310 nan 0.000 0.492 114 A N 2.534 125.195 122.820 -0.265 0.000 1.917 114 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 114 A C 2.293 179.892 177.584 0.025 0.000 1.182 114 A CA 2.409 54.238 52.037 -0.346 0.000 0.633 114 A CB -1.755 16.758 19.000 -0.811 0.000 0.819 114 A HN 0.550 nan 8.150 nan 0.000 0.448 115 T N 0.186 114.736 114.554 -0.008 0.000 2.867 115 T HA -0.051 4.299 4.350 -0.001 0.000 0.268 115 T C 1.759 176.500 174.700 0.069 0.000 1.057 115 T CA 1.356 63.489 62.100 0.054 0.000 1.136 115 T CB -0.398 68.488 68.868 0.030 0.000 0.874 115 T HN 0.462 nan 8.240 nan 0.000 0.466 116 I N -0.189 120.391 120.570 0.017 0.000 2.179 116 I HA -0.180 3.989 4.170 -0.001 0.000 0.242 116 I C 2.131 178.219 176.117 -0.050 0.000 1.088 116 I CA 1.575 62.874 61.300 -0.001 0.000 1.357 116 I CB -0.398 37.584 38.000 -0.029 0.000 1.051 116 I HN 0.215 nan 8.210 nan 0.000 0.409 117 Y N 0.629 120.982 120.300 0.088 0.000 2.242 117 Y HA -0.253 4.296 4.550 -0.001 0.000 0.291 117 Y C 2.302 178.292 175.900 0.150 0.000 1.137 117 Y CA 1.631 59.772 58.100 0.069 0.000 1.181 117 Y CB -0.591 38.056 38.460 0.311 0.000 0.989 117 Y HN 0.197 nan 8.280 nan 0.000 0.527 118 D N -0.357 120.260 120.400 0.360 0.000 2.123 118 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 118 D C 2.137 178.575 176.300 0.229 0.000 0.992 118 D CA 1.335 55.525 54.000 0.317 0.000 0.833 118 D CB -0.117 40.826 40.800 0.240 0.000 0.954 118 D HN 0.085 nan 8.370 nan 0.000 0.455 119 V N -0.265 119.753 119.914 0.174 0.000 2.407 119 V HA -0.282 3.837 4.120 -0.001 0.000 0.248 119 V C 2.695 178.845 176.094 0.093 0.000 1.055 119 V CA 1.467 63.928 62.300 0.269 0.000 1.049 119 V CB -0.460 31.540 31.823 0.296 0.000 0.662 119 V HN 0.454 nan 8.190 nan 0.000 0.455 120 C N -0.718 118.368 119.300 -0.357 0.000 2.446 120 C HA -0.109 4.350 4.460 -0.001 0.000 0.277 120 C C 2.504 177.034 174.990 -0.767 0.000 1.275 120 C CA 0.659 59.115 59.018 -0.936 0.000 1.727 120 C CB -1.192 25.270 27.740 -2.130 0.000 2.010 120 C HN 0.533 nan 8.230 nan 0.000 0.486 121 F N 1.643 121.375 119.950 -0.364 0.000 2.234 121 F HA -0.083 4.443 4.527 -0.001 0.000 0.299 121 F C 2.345 178.081 175.800 -0.106 0.000 1.087 121 F CA 1.331 59.297 58.000 -0.056 0.000 1.340 121 F CB -0.537 38.517 39.000 0.091 0.000 1.031 121 F HN 0.306 nan 8.300 nan 0.000 0.500 122 N N -1.451 117.247 118.700 -0.003 0.000 2.333 122 N HA -0.076 4.664 4.740 -0.001 0.000 0.178 122 N C 1.307 176.407 175.510 -0.683 0.000 1.018 122 N CA 1.107 53.957 53.050 -0.333 0.000 0.882 122 N CB -0.131 38.127 38.487 -0.382 0.000 0.984 122 N HN 0.378 nan 8.380 nan 0.000 0.434 123 H N -2.601 116.419 119.070 -0.083 0.000 3.440 123 H HA 0.232 4.787 4.556 -0.001 0.000 0.259 123 H C 0.578 175.546 175.328 -0.599 0.000 1.120 123 H CA 0.014 55.874 56.048 -0.313 0.000 1.191 123 H CB 0.564 30.130 29.762 -0.326 0.000 1.537 123 H HN 0.114 nan 8.280 nan 0.000 0.547 124 F N -0.328 119.588 119.950 -0.055 0.000 2.495 124 F HA 0.176 4.703 4.527 -0.001 0.000 0.272 124 F C 0.433 176.306 175.800 0.121 0.000 0.919 124 F CA -0.426 57.567 58.000 -0.012 0.000 1.178 124 F CB -0.009 38.908 39.000 -0.140 0.000 1.030 124 F HN -0.186 nan 8.300 nan 0.000 0.777 125 F N 3.966 123.961 119.950 0.075 0.000 2.506 125 F HA 0.069 4.595 4.527 -0.001 0.000 0.387 125 F C 0.801 176.644 175.800 0.071 0.000 1.053 125 F CA -0.407 57.597 58.000 0.007 0.000 1.083 125 F CB -0.895 37.986 39.000 -0.198 0.000 1.010 125 F HN -0.197 nan 8.300 nan 0.000 0.551 126 R N 2.211 122.887 120.500 0.295 0.000 2.340 126 R HA 0.579 4.918 4.340 -0.001 0.000 0.300 126 R C 0.244 176.625 176.300 0.136 0.000 1.069 126 R CA -0.484 55.731 56.100 0.192 0.000 0.984 126 R CB 0.811 31.188 30.300 0.127 0.000 1.003 126 R HN 0.666 nan 8.270 nan 0.000 0.459 127 A N 2.828 125.725 122.820 0.128 0.000 2.257 127 A HA 0.295 4.614 4.320 -0.001 0.000 0.289 127 A C 0.047 177.670 177.584 0.065 0.000 1.095 127 A CA -0.638 51.454 52.037 0.092 0.000 0.836 127 A CB 0.461 19.508 19.000 0.078 0.000 1.111 127 A HN 0.829 nan 8.150 nan 0.000 0.497 128 R N 0.279 120.811 120.500 0.052 0.000 2.640 128 R HA 0.138 4.478 4.340 -0.001 0.000 0.270 128 R C -0.172 176.156 176.300 0.046 0.000 1.024 128 R CA 1.138 57.260 56.100 0.038 0.000 1.085 128 R CB -0.060 30.261 30.300 0.035 0.000 0.963 128 R HN 1.000 nan 8.270 nan 0.000 0.426 129 N N -0.095 118.617 118.700 0.021 0.000 3.243 129 N HA 0.042 4.782 4.740 -0.001 0.000 0.280 129 N C -0.240 175.285 175.510 0.024 0.000 1.545 129 N CA -0.567 52.503 53.050 0.033 0.000 0.854 129 N CB 0.598 39.072 38.487 -0.023 0.000 1.612 129 N HN 0.602 nan 8.380 nan 0.000 0.577 130 E N -0.919 119.303 120.200 0.037 0.000 2.118 130 E HA -0.265 4.084 4.350 -0.001 0.000 0.195 130 E C 0.996 177.605 176.600 0.015 0.000 0.992 130 E CA 1.320 57.739 56.400 0.032 0.000 0.804 130 E CB -0.233 29.492 29.700 0.041 0.000 0.741 130 E HN 0.502 nan 8.360 nan 0.000 0.458 131 Q N 0.979 120.774 119.800 -0.007 0.000 2.123 131 Q HA 0.036 4.375 4.340 -0.001 0.000 0.196 131 Q C -0.148 175.842 176.000 -0.018 0.000 0.958 131 Q CA 1.716 57.509 55.803 -0.017 0.000 0.841 131 Q CB 0.332 29.048 28.738 -0.037 0.000 0.915 131 Q HN 0.593 nan 8.270 nan 0.000 0.455 132 D N -4.054 116.330 120.400 -0.027 0.000 2.664 132 D HA 0.369 5.009 4.640 -0.001 0.000 0.292 132 D C 0.336 176.637 176.300 0.001 0.000 1.214 132 D CA -0.530 53.463 54.000 -0.012 0.000 0.932 132 D CB 0.208 40.994 40.800 -0.023 0.000 1.420 132 D HN -0.057 nan 8.370 nan 0.000 0.471 133 G N -1.273 107.542 108.800 0.024 0.000 3.061 133 G HA2 0.459 4.418 3.960 -0.001 0.000 0.208 133 G HA3 0.459 4.418 3.960 -0.001 0.000 0.208 133 G C 0.950 175.875 174.900 0.041 0.000 1.175 133 G CA 0.288 45.411 45.100 0.038 0.000 0.812 133 G HN 1.074 nan 8.290 nan 0.000 0.523 134 G N 0.062 108.875 108.800 0.022 0.000 2.741 134 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.222 134 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.222 134 G C -0.708 174.235 174.900 0.070 0.000 1.364 134 G CA -0.355 44.764 45.100 0.032 0.000 0.866 134 G HN 0.241 nan 8.290 nan 0.000 0.555 135 D N 0.245 120.704 120.400 0.099 0.000 2.382 135 D HA 0.402 5.041 4.640 -0.001 0.000 0.245 135 D C 0.753 177.122 176.300 0.115 0.000 1.120 135 D CA 0.191 54.276 54.000 0.141 0.000 0.890 135 D CB 0.847 41.809 40.800 0.270 0.000 1.201 135 D HN 0.445 nan 8.370 nan 0.000 0.433 136 L N 2.164 123.480 121.223 0.155 0.000 2.259 136 L HA 0.263 4.603 4.340 -0.001 0.000 0.288 136 L C -0.394 176.586 176.870 0.183 0.000 1.051 136 L CA -0.795 54.181 54.840 0.226 0.000 0.824 136 L CB 0.952 43.123 42.059 0.187 0.000 1.206 136 L HN -0.043 nan 8.230 nan 0.000 0.429 137 V N 3.433 123.399 119.914 0.087 0.000 2.350 137 V HA 0.184 4.303 4.120 -0.001 0.000 0.276 137 V C -0.477 175.613 176.094 -0.007 0.000 1.028 137 V CA -0.504 61.718 62.300 -0.131 0.000 0.860 137 V CB 0.917 32.158 31.823 -0.969 0.000 0.990 137 V HN 0.397 nan 8.190 nan 0.000 0.453 138 Y N 4.863 125.202 120.300 0.064 0.000 2.714 138 Y HA 0.431 4.980 4.550 -0.001 0.000 0.333 138 Y C 0.341 176.384 175.900 0.239 0.000 1.220 138 Y CA -1.098 57.115 58.100 0.187 0.000 1.513 138 Y CB -0.399 38.106 38.460 0.075 0.000 1.435 138 Y HN 0.501 nan 8.280 nan 0.000 0.489 139 F N 0.958 121.100 119.950 0.322 0.000 2.602 139 F HA -0.015 4.511 4.527 -0.001 0.000 0.367 139 F C 1.085 177.014 175.800 0.216 0.000 1.126 139 F CA -0.052 58.093 58.000 0.240 0.000 1.321 139 F CB 0.471 39.553 39.000 0.136 0.000 1.094 139 F HN 0.334 nan 8.300 nan 0.000 0.594 140 Q N 2.523 122.595 119.800 0.454 0.000 2.274 140 Q HA 0.097 4.436 4.340 -0.001 0.000 0.280 140 Q C 1.331 177.412 176.000 0.135 0.000 1.047 140 Q CA 0.289 56.257 55.803 0.275 0.000 0.907 140 Q CB 1.109 30.000 28.738 0.254 0.000 1.171 140 Q HN 0.958 nan 8.270 nan 0.000 0.381 141 G N 3.812 112.667 108.800 0.092 0.000 2.553 141 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.218 141 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.218 141 G C 0.928 175.899 174.900 0.119 0.000 1.195 141 G CA 1.195 46.289 45.100 -0.011 0.000 0.779 141 G HN 0.983 nan 8.290 nan 0.000 0.577 142 H N 0.802 119.835 119.070 -0.061 0.000 2.562 142 H HA 0.107 4.662 4.556 -0.001 0.000 0.272 142 H C 1.691 177.059 175.328 0.066 0.000 1.019 142 H CA 0.700 56.758 56.048 0.016 0.000 1.160 142 H CB -0.544 28.921 29.762 -0.494 0.000 1.334 142 H HN 0.562 nan 8.280 nan 0.000 0.611 143 I N -0.997 119.525 120.570 -0.080 0.000 3.904 143 I HA 0.185 4.354 4.170 -0.001 0.000 0.333 143 I C 1.795 177.770 176.117 -0.237 0.000 1.361 143 I CA -0.093 61.161 61.300 -0.078 0.000 1.116 143 I CB 0.015 38.052 38.000 0.062 0.000 1.028 143 I HN 0.068 nan 8.210 nan 0.000 0.398 144 S N 1.277 116.890 115.700 -0.145 0.000 2.387 144 S HA -0.042 4.428 4.470 -0.001 0.000 0.230 144 S C -0.360 173.967 174.600 -0.454 0.000 1.035 144 S CA 1.129 59.167 58.200 -0.271 0.000 1.014 144 S CB -2.126 60.956 63.200 -0.197 0.000 0.836 144 S HN 0.364 nan 8.310 nan 0.000 0.466 145 P HA 0.013 nan 4.420 nan 0.000 0.218 145 P C 1.815 178.807 177.300 -0.514 0.000 1.148 145 P CA 1.646 64.552 63.100 -0.324 0.000 0.822 145 P CB -0.679 30.837 31.700 -0.308 0.000 0.784 146 G N -0.666 107.536 108.800 -0.996 0.000 2.403 146 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.216 146 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.216 146 G C 1.575 176.027 174.900 -0.746 0.000 1.154 146 G CA 0.408 44.574 45.100 -1.558 0.000 0.784 146 G HN 0.146 nan 8.290 nan 0.000 0.538 147 V N 0.133 119.676 119.914 -0.618 0.000 2.358 147 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 147 V C 2.440 178.396 176.094 -0.230 0.000 1.047 147 V CA 1.253 63.295 62.300 -0.430 0.000 1.035 147 V CB -0.689 30.839 31.823 -0.492 0.000 0.658 147 V HN 0.374 nan 8.190 nan 0.000 0.452 148 Y N 0.766 120.957 120.300 -0.183 0.000 2.242 148 Y HA -0.084 4.465 4.550 -0.001 0.000 0.291 148 Y C 2.541 178.336 175.900 -0.175 0.000 1.137 148 Y CA 0.623 58.608 58.100 -0.191 0.000 1.181 148 Y CB -1.387 36.954 38.460 -0.199 0.000 0.989 148 Y HN 0.192 nan 8.280 nan 0.000 0.527 149 A N 0.379 123.170 122.820 -0.048 0.000 1.865 149 A HA -0.250 4.069 4.320 -0.001 0.000 0.217 149 A C 2.433 180.048 177.584 0.052 0.000 1.191 149 A CA 2.044 54.069 52.037 -0.020 0.000 0.623 149 A CB -0.788 18.179 19.000 -0.055 0.000 0.826 149 A HN 0.422 nan 8.150 nan 0.000 0.444 150 R N -0.357 120.111 120.500 -0.053 0.000 2.073 150 R HA -0.092 4.247 4.340 -0.001 0.000 0.234 150 R C 2.271 178.517 176.300 -0.090 0.000 1.134 150 R CA 1.585 57.622 56.100 -0.105 0.000 0.952 150 R CB -0.486 29.627 30.300 -0.311 0.000 0.850 150 R HN 0.407 nan 8.270 nan 0.000 0.433 151 A N 0.557 123.348 122.820 -0.049 0.000 1.940 151 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 151 A C 1.973 179.546 177.584 -0.019 0.000 1.176 151 A CA 1.386 53.422 52.037 -0.002 0.000 0.631 151 A CB -0.811 18.275 19.000 0.144 0.000 0.814 151 A HN 0.589 nan 8.150 nan 0.000 0.446 152 F N 0.077 119.949 119.950 -0.129 0.000 2.075 152 F HA -0.121 4.406 4.527 -0.001 0.000 0.297 152 F C 1.773 177.516 175.800 -0.095 0.000 1.113 152 F CA 1.677 59.587 58.000 -0.151 0.000 1.218 152 F CB -0.517 38.354 39.000 -0.216 0.000 0.984 152 F HN 0.157 nan 8.300 nan 0.000 0.472 153 L N 0.996 122.088 121.223 -0.218 0.000 2.079 153 L HA -0.199 4.141 4.340 -0.001 0.000 0.210 153 L C 2.037 178.789 176.870 -0.197 0.000 1.081 153 L CA 1.910 56.608 54.840 -0.236 0.000 0.752 153 L CB -0.945 41.119 42.059 0.009 0.000 0.896 153 L HN 0.256 nan 8.230 nan 0.000 0.433 154 E N -0.897 119.187 120.200 -0.194 0.000 2.511 154 E HA 0.123 4.472 4.350 -0.001 0.000 0.196 154 E C 1.230 177.742 176.600 -0.146 0.000 1.066 154 E CA 0.510 56.776 56.400 -0.223 0.000 0.871 154 E CB -0.234 29.301 29.700 -0.275 0.000 0.863 154 E HN 0.544 nan 8.360 nan 0.000 0.520 155 G N 1.863 110.537 108.800 -0.210 0.000 2.160 155 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.251 155 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.251 155 G C 0.845 175.642 174.900 -0.170 0.000 1.008 155 G CA 0.414 45.392 45.100 -0.204 0.000 0.724 155 G HN 0.276 nan 8.290 nan 0.000 0.514 156 R N -1.192 119.209 120.500 -0.165 0.000 2.223 156 R HA 0.343 4.682 4.340 -0.001 0.000 0.198 156 R C 0.945 177.194 176.300 -0.084 0.000 0.984 156 R CA 0.504 56.533 56.100 -0.118 0.000 1.018 156 R CB 0.270 30.517 30.300 -0.089 0.000 0.945 156 R HN 0.444 nan 8.270 nan 0.000 0.479 157 L N 0.382 121.562 121.223 -0.072 0.000 2.354 157 L HA 0.339 4.678 4.340 -0.001 0.000 0.264 157 L C 0.242 177.147 176.870 0.057 0.000 1.008 157 L CA -0.896 53.902 54.840 -0.071 0.000 0.819 157 L CB 2.189 44.167 42.059 -0.136 0.000 1.339 157 L HN -0.013 nan 8.230 nan 0.000 0.420 158 T N -2.736 111.828 114.554 0.016 0.000 2.927 158 T HA 0.174 4.523 4.350 -0.001 0.000 0.281 158 T C 0.592 175.315 174.700 0.038 0.000 0.998 158 T CA -0.494 61.655 62.100 0.082 0.000 1.019 158 T CB 1.764 70.636 68.868 0.007 0.000 1.061 158 T HN 0.725 nan 8.240 nan 0.000 0.518 159 Q N 0.330 120.179 119.800 0.082 0.000 2.124 159 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 159 Q C 2.056 177.981 176.000 -0.126 0.000 0.977 159 Q CA 2.197 57.910 55.803 -0.149 0.000 0.850 159 Q CB -0.261 28.510 28.738 0.056 0.000 0.901 159 Q HN 0.943 nan 8.270 nan 0.000 0.429 160 E N -0.259 119.913 120.200 -0.047 0.000 2.204 160 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 160 E C 1.943 178.491 176.600 -0.087 0.000 0.989 160 E CA 1.176 57.549 56.400 -0.045 0.000 0.824 160 E CB -0.162 29.522 29.700 -0.027 0.000 0.756 160 E HN 0.474 nan 8.360 nan 0.000 0.477 161 Q N 0.566 120.288 119.800 -0.129 0.000 2.079 161 Q HA -0.036 4.303 4.340 -0.001 0.000 0.200 161 Q C 2.370 178.235 176.000 -0.225 0.000 0.974 161 Q CA 1.294 56.990 55.803 -0.178 0.000 0.840 161 Q CB -0.045 28.563 28.738 -0.217 0.000 0.898 161 Q HN 0.384 nan 8.270 nan 0.000 0.430 162 L N 0.680 121.716 121.223 -0.313 0.000 2.131 162 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 162 L C 1.440 178.232 176.870 -0.129 0.000 1.092 162 L CA 0.770 55.389 54.840 -0.368 0.000 0.759 162 L CB -0.284 41.271 42.059 -0.840 0.000 0.903 162 L HN 0.192 nan 8.230 nan 0.000 0.435 163 D N -0.233 120.127 120.400 -0.066 0.000 2.348 163 D HA -0.080 4.559 4.640 -0.001 0.000 0.216 163 D C 1.030 177.341 176.300 0.018 0.000 0.970 163 D CA 0.710 54.732 54.000 0.036 0.000 0.889 163 D CB -0.034 40.792 40.800 0.044 0.000 0.912 163 D HN 0.235 nan 8.370 nan 0.000 0.524 164 N N 0.326 119.014 118.700 -0.019 0.000 2.321 164 N HA 0.005 4.745 4.740 -0.001 0.000 0.242 164 N C -0.305 175.194 175.510 -0.018 0.000 1.141 164 N CA -0.340 52.695 53.050 -0.025 0.000 0.864 164 N CB -0.002 38.453 38.487 -0.053 0.000 1.100 164 N HN 0.086 nan 8.380 nan 0.000 0.510 165 F N 2.257 122.130 119.950 -0.128 0.000 2.578 165 F HA 0.059 4.585 4.527 -0.001 0.000 0.381 165 F C 1.281 177.040 175.800 -0.068 0.000 1.069 165 F CA 0.216 58.142 58.000 -0.124 0.000 1.231 165 F CB 0.306 39.254 39.000 -0.087 0.000 1.086 165 F HN 0.155 nan 8.300 nan 0.000 0.564 166 R N 2.625 122.718 120.500 -0.679 0.000 3.951 166 R HA -0.224 4.115 4.340 -0.001 0.000 0.352 166 R C -0.661 175.490 176.300 -0.249 0.000 1.178 166 R CA 1.121 56.877 56.100 -0.573 0.000 0.949 166 R CB -1.771 28.066 30.300 -0.772 0.000 1.452 166 R HN 0.798 nan 8.270 nan 0.000 0.540 167 Q N 0.058 119.767 119.800 -0.151 0.000 2.616 167 Q HA 0.147 4.487 4.340 -0.001 0.000 0.250 167 Q C -0.141 175.840 176.000 -0.031 0.000 0.991 167 Q CA -0.246 55.520 55.803 -0.062 0.000 0.707 167 Q CB 1.252 29.971 28.738 -0.033 0.000 1.247 167 Q HN 0.288 nan 8.270 nan 0.000 0.491 168 E N 0.304 120.487 120.200 -0.028 0.000 2.460 168 E HA -0.009 4.340 4.350 -0.001 0.000 0.200 168 E C 1.425 178.022 176.600 -0.006 0.000 1.011 168 E CA 0.173 56.564 56.400 -0.016 0.000 0.912 168 E CB 0.647 30.335 29.700 -0.020 0.000 0.953 168 E HN 0.219 nan 8.360 nan 0.000 0.494 169 V N 1.223 121.133 119.914 -0.007 0.000 2.392 169 V HA -0.258 3.861 4.120 -0.001 0.000 0.249 169 V C 1.382 177.370 176.094 -0.176 0.000 1.059 169 V CA 1.960 64.203 62.300 -0.094 0.000 1.051 169 V CB -0.594 31.143 31.823 -0.144 0.000 0.658 169 V HN 0.340 nan 8.190 nan 0.000 0.455 170 H N -0.156 118.896 119.070 -0.029 0.000 2.543 170 H HA 0.361 4.916 4.556 -0.001 0.000 0.269 170 H C 1.739 177.050 175.328 -0.028 0.000 1.005 170 H CA 0.658 56.690 56.048 -0.027 0.000 1.146 170 H CB -0.113 29.633 29.762 -0.027 0.000 1.353 170 H HN 0.477 nan 8.280 nan 0.000 0.595 171 G N 0.733 109.554 108.800 0.036 0.000 2.176 171 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.253 171 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.253 171 G C 0.618 175.516 174.900 -0.004 0.000 0.979 171 G CA 0.303 45.408 45.100 0.009 0.000 0.641 171 G HN 0.552 nan 8.290 nan 0.000 0.530 172 N N 0.256 118.953 118.700 -0.005 0.000 2.553 172 N HA 0.433 5.173 4.740 -0.001 0.000 0.298 172 N C 0.721 176.191 175.510 -0.066 0.000 1.596 172 N CA 0.534 53.561 53.050 -0.038 0.000 0.910 172 N CB 0.180 38.648 38.487 -0.032 0.000 1.336 172 N HN 0.503 nan 8.380 nan 0.000 0.497 173 G N 0.192 108.950 108.800 -0.069 0.000 3.016 173 G HA2 0.690 4.649 3.960 -0.001 0.000 0.270 173 G HA3 0.690 4.649 3.960 -0.001 0.000 0.270 173 G C -1.048 173.760 174.900 -0.154 0.000 1.352 173 G CA -0.443 44.597 45.100 -0.100 0.000 1.060 173 G HN 0.132 nan 8.290 nan 0.000 0.538 174 L N 0.270 121.385 121.223 -0.181 0.000 2.386 174 L HA 0.421 4.760 4.340 -0.001 0.000 0.271 174 L C 0.140 176.966 176.870 -0.072 0.000 0.993 174 L CA -0.779 53.920 54.840 -0.235 0.000 0.819 174 L CB 2.317 44.007 42.059 -0.615 0.000 1.294 174 L HN 0.408 nan 8.230 nan 0.000 0.414 175 S N 0.103 115.878 115.700 0.125 0.000 2.579 175 S HA 0.030 4.499 4.470 -0.001 0.000 0.275 175 S C 1.255 175.902 174.600 0.078 0.000 1.345 175 S CA -0.119 58.168 58.200 0.145 0.000 1.031 175 S CB 1.426 64.810 63.200 0.307 0.000 0.892 175 S HN 0.848 nan 8.310 nan 0.000 0.529 176 S N 1.241 116.832 115.700 -0.181 0.000 2.359 176 S HA -0.096 4.373 4.470 -0.001 0.000 0.224 176 S C 0.141 174.404 174.600 -0.562 0.000 1.035 176 S CA 1.103 58.975 58.200 -0.545 0.000 1.018 176 S CB -0.520 62.153 63.200 -0.879 0.000 0.876 176 S HN 0.691 nan 8.310 nan 0.000 0.448 177 Y N 0.508 120.768 120.300 -0.067 0.000 2.698 177 Y HA 0.595 5.144 4.550 -0.001 0.000 0.332 177 Y C -2.991 172.274 175.900 -1.058 0.000 1.119 177 Y CA -3.177 54.643 58.100 -0.467 0.000 1.109 177 Y CB -0.114 38.107 38.460 -0.397 0.000 1.308 177 Y HN -0.183 nan 8.280 nan 0.000 0.499 178 P HA 0.107 nan 4.420 nan 0.000 0.263 178 P C -1.121 175.685 177.300 -0.822 0.000 1.247 178 P CA 0.702 62.837 63.100 -1.608 0.000 0.876 178 P CB -0.097 30.963 31.700 -1.066 0.000 0.928 179 H N 4.488 123.448 119.070 -0.182 0.000 2.854 179 H HA 0.195 4.750 4.556 -0.001 0.000 0.275 179 H C -1.954 173.481 175.328 0.179 0.000 1.198 179 H CA -2.027 54.054 56.048 0.056 0.000 1.489 179 H CB 1.295 31.102 29.762 0.075 0.000 1.519 179 H HN 0.220 nan 8.280 nan 0.000 0.503 180 P HA -0.206 nan 4.420 nan 0.000 0.216 180 P C 1.821 179.223 177.300 0.170 0.000 1.150 180 P CA 1.358 64.583 63.100 0.207 0.000 0.843 180 P CB 0.645 32.407 31.700 0.103 0.000 0.787 181 K N -0.527 119.957 120.400 0.140 0.000 2.097 181 K HA -0.129 4.190 4.320 -0.001 0.000 0.206 181 K C 1.684 178.337 176.600 0.089 0.000 1.049 181 K CA 1.519 57.854 56.287 0.080 0.000 0.933 181 K CB -1.062 31.447 32.500 0.014 0.000 0.717 181 K HN -0.039 nan 8.250 nan 0.000 0.442 182 L N -0.221 121.087 121.223 0.141 0.000 2.209 182 L HA 0.215 4.554 4.340 -0.001 0.000 0.207 182 L C 0.722 177.688 176.870 0.160 0.000 1.094 182 L CA 1.346 56.267 54.840 0.136 0.000 0.790 182 L CB -0.174 41.987 42.059 0.170 0.000 0.932 182 L HN 0.196 nan 8.230 nan 0.000 0.447 183 M N 0.699 120.443 119.600 0.239 0.000 2.353 183 M HA 0.223 4.702 4.480 -0.001 0.000 0.218 183 M C -1.691 174.741 176.300 0.219 0.000 1.044 183 M CA -1.027 54.411 55.300 0.231 0.000 0.615 183 M CB 1.725 34.531 32.600 0.344 0.000 1.531 183 M HN -0.188 nan 8.290 nan 0.000 0.378 184 P HA -0.153 nan 4.420 nan 0.000 0.226 184 P C 0.294 177.644 177.300 0.084 0.000 1.146 184 P CA 1.445 64.609 63.100 0.107 0.000 0.773 184 P CB 0.260 32.008 31.700 0.081 0.000 0.772 185 E N -3.103 117.154 120.200 0.095 0.000 2.498 185 E HA 0.119 4.469 4.350 -0.001 0.000 0.203 185 E C 1.010 177.660 176.600 0.084 0.000 1.013 185 E CA -0.189 56.254 56.400 0.071 0.000 0.927 185 E CB 0.070 29.808 29.700 0.063 0.000 1.012 185 E HN 0.215 nan 8.360 nan 0.000 0.482 186 F N -0.459 119.441 119.950 -0.082 0.000 2.534 186 F HA 0.249 4.776 4.527 -0.001 0.000 0.274 186 F C -0.129 175.526 175.800 -0.241 0.000 0.917 186 F CA -0.135 57.731 58.000 -0.224 0.000 1.145 186 F CB 0.319 39.109 39.000 -0.349 0.000 1.145 186 F HN -0.153 nan 8.300 nan 0.000 0.746 187 W N 1.895 123.266 121.300 0.117 0.000 2.237 187 W HA 0.352 5.011 4.660 -0.001 0.000 0.335 187 W C 1.087 177.497 176.519 -0.181 0.000 1.230 187 W CA -0.187 57.132 57.345 -0.043 0.000 1.253 187 W CB 0.773 30.286 29.460 0.089 0.000 1.129 187 W HN 0.113 nan 8.180 nan 0.000 0.590 188 Q N 0.446 120.232 119.800 -0.024 0.000 2.534 188 Q HA 0.169 4.508 4.340 -0.001 0.000 0.252 188 Q C -0.619 174.881 176.000 -0.832 0.000 0.850 188 Q CA 0.346 55.800 55.803 -0.582 0.000 0.974 188 Q CB 0.666 28.782 28.738 -1.036 0.000 1.205 188 Q HN 0.299 nan 8.270 nan 0.000 0.593 189 F N 1.395 121.325 119.950 -0.033 0.000 2.499 189 F HA 0.401 4.928 4.527 -0.001 0.000 0.333 189 F C -2.439 173.345 175.800 -0.027 0.000 1.138 189 F CA -3.113 54.808 58.000 -0.133 0.000 0.945 189 F CB 1.287 39.909 39.000 -0.630 0.000 1.181 189 F HN -0.203 nan 8.300 nan 0.000 0.435 190 P HA 0.160 nan 4.420 nan 0.000 0.274 190 P C 0.624 178.024 177.300 0.168 0.000 1.291 190 P CA 0.052 63.236 63.100 0.141 0.000 0.815 190 P CB 0.579 32.412 31.700 0.221 0.000 0.897 191 T N -2.055 112.551 114.554 0.087 0.000 3.003 191 T HA 0.032 4.381 4.350 -0.001 0.000 0.261 191 T C 1.253 175.971 174.700 0.029 0.000 1.003 191 T CA 0.046 62.217 62.100 0.117 0.000 0.917 191 T CB -0.512 68.460 68.868 0.174 0.000 1.084 191 T HN 0.020 nan 8.240 nan 0.000 0.522 192 V N 1.547 121.418 119.914 -0.070 0.000 3.078 192 V HA 0.050 4.170 4.120 -0.001 0.000 0.265 192 V C 1.585 177.611 176.094 -0.114 0.000 1.122 192 V CA 0.986 63.167 62.300 -0.198 0.000 1.141 192 V CB -0.935 30.568 31.823 -0.533 0.000 0.735 192 V HN 0.547 nan 8.190 nan 0.000 0.498 193 S N 2.580 118.279 115.700 -0.000 0.000 2.485 193 S HA 0.354 4.823 4.470 -0.001 0.000 0.312 193 S C 0.345 174.956 174.600 0.018 0.000 1.102 193 S CA -0.653 57.558 58.200 0.019 0.000 1.066 193 S CB -0.371 62.876 63.200 0.078 0.000 1.102 193 S HN 0.331 nan 8.310 nan 0.000 0.519 194 M N 3.566 123.160 119.600 -0.011 0.000 2.235 194 M HA 0.083 4.563 4.480 -0.001 0.000 0.336 194 M C 1.730 178.036 176.300 0.009 0.000 1.146 194 M CA 1.467 56.765 55.300 -0.003 0.000 1.018 194 M CB -1.051 31.539 32.600 -0.018 0.000 1.694 194 M HN 0.965 nan 8.290 nan 0.000 0.451 195 G N 2.047 110.851 108.800 0.007 0.000 2.284 195 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.247 195 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.247 195 G C 0.750 175.665 174.900 0.025 0.000 1.012 195 G CA 0.399 45.504 45.100 0.008 0.000 0.618 195 G HN 0.630 nan 8.290 nan 0.000 0.521 196 L N 0.923 122.174 121.223 0.047 0.000 2.179 196 L HA 0.175 4.514 4.340 -0.001 0.000 0.208 196 L C 3.067 179.985 176.870 0.080 0.000 1.096 196 L CA 1.421 56.305 54.840 0.073 0.000 0.779 196 L CB -0.799 41.324 42.059 0.105 0.000 0.922 196 L HN 0.364 nan 8.230 nan 0.000 0.443 197 G N 1.201 110.048 108.800 0.078 0.000 2.421 197 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.216 197 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.216 197 G C -0.520 174.297 174.900 -0.139 0.000 1.171 197 G CA 0.626 45.766 45.100 0.067 0.000 0.775 197 G HN 0.308 nan 8.290 nan 0.000 0.543 198 P HA -0.063 nan 4.420 nan 0.000 0.216 198 P C 2.015 179.385 177.300 0.118 0.000 1.153 198 P CA 0.758 63.750 63.100 -0.180 0.000 0.848 198 P CB 0.015 31.543 31.700 -0.287 0.000 0.787 199 I N -0.274 120.366 120.570 0.116 0.000 2.439 199 I HA -0.064 4.105 4.170 -0.001 0.000 0.251 199 I C 2.291 178.525 176.117 0.195 0.000 1.139 199 I CA 1.452 62.873 61.300 0.201 0.000 1.438 199 I CB -0.674 37.429 38.000 0.171 0.000 1.085 199 I HN -0.104 nan 8.210 nan 0.000 0.427 200 G N 0.236 109.074 108.800 0.064 0.000 2.418 200 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.217 200 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.217 200 G C 1.722 176.531 174.900 -0.152 0.000 1.158 200 G CA 0.692 45.813 45.100 0.036 0.000 0.771 200 G HN 0.538 nan 8.290 nan 0.000 0.545 201 A N 0.575 123.100 122.820 -0.492 0.000 1.930 201 A HA 0.118 4.437 4.320 -0.001 0.000 0.217 201 A C 2.378 179.853 177.584 -0.182 0.000 1.175 201 A CA 1.071 52.712 52.037 -0.660 0.000 0.627 201 A CB -0.298 18.250 19.000 -0.755 0.000 0.815 201 A HN 0.375 nan 8.150 nan 0.000 0.443 202 I N -1.960 118.590 120.570 -0.034 0.000 2.179 202 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 202 I C 2.231 178.190 176.117 -0.263 0.000 1.088 202 I CA 1.523 62.743 61.300 -0.133 0.000 1.357 202 I CB -0.363 37.548 38.000 -0.148 0.000 1.051 202 I HN 0.408 nan 8.210 nan 0.000 0.409 203 Y N 0.073 120.362 120.300 -0.019 0.000 2.457 203 Y HA -0.201 4.348 4.550 -0.001 0.000 0.292 203 Y C 2.611 178.531 175.900 0.033 0.000 1.125 203 Y CA 0.919 59.020 58.100 0.003 0.000 1.254 203 Y CB -0.226 38.225 38.460 -0.015 0.000 1.012 203 Y HN 0.193 nan 8.280 nan 0.000 0.555 204 Q N 0.656 120.515 119.800 0.098 0.000 2.083 204 Q HA -0.098 4.242 4.340 -0.001 0.000 0.198 204 Q C 2.309 178.372 176.000 0.104 0.000 0.969 204 Q CA 1.695 57.564 55.803 0.110 0.000 0.838 204 Q CB -0.404 28.365 28.738 0.052 0.000 0.900 204 Q HN 0.347 nan 8.270 nan 0.000 0.436 205 A N 0.664 123.484 122.820 -0.000 0.000 1.933 205 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 205 A C 2.061 179.638 177.584 -0.012 0.000 1.175 205 A CA 1.779 53.793 52.037 -0.039 0.000 0.628 205 A CB -0.619 18.306 19.000 -0.125 0.000 0.814 205 A HN 0.430 nan 8.150 nan 0.000 0.444 206 K N -1.709 118.689 120.400 -0.003 0.000 2.097 206 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 206 K C 1.716 178.412 176.600 0.160 0.000 1.050 206 K CA 1.458 57.777 56.287 0.054 0.000 0.938 206 K CB -0.323 32.179 32.500 0.004 0.000 0.718 206 K HN 0.341 nan 8.250 nan 0.000 0.442 207 F N 1.526 121.495 119.950 0.031 0.000 2.234 207 F HA -0.061 4.466 4.527 -0.001 0.000 0.299 207 F C 1.506 177.351 175.800 0.075 0.000 1.087 207 F CA 1.084 59.105 58.000 0.034 0.000 1.340 207 F CB 0.028 39.036 39.000 0.013 0.000 1.031 207 F HN -0.021 nan 8.300 nan 0.000 0.500 208 L N -0.261 121.000 121.223 0.064 0.000 2.093 208 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 208 L C 2.493 179.282 176.870 -0.134 0.000 1.085 208 L CA 1.104 55.917 54.840 -0.045 0.000 0.755 208 L CB -0.674 41.386 42.059 0.002 0.000 0.904 208 L HN -0.024 nan 8.230 nan 0.000 0.435 209 K N -0.419 119.928 120.400 -0.088 0.000 2.097 209 K HA -0.205 4.114 4.320 -0.001 0.000 0.205 209 K C 2.033 178.547 176.600 -0.143 0.000 1.050 209 K CA 1.347 57.539 56.287 -0.158 0.000 0.938 209 K CB -0.446 32.039 32.500 -0.025 0.000 0.718 209 K HN 0.279 nan 8.250 nan 0.000 0.442 210 Y N 1.390 121.550 120.300 -0.234 0.000 2.181 210 Y HA -0.211 4.338 4.550 -0.001 0.000 0.288 210 Y C 1.964 177.576 175.900 -0.480 0.000 1.146 210 Y CA 1.079 58.867 58.100 -0.520 0.000 1.164 210 Y CB -0.211 37.762 38.460 -0.811 0.000 0.982 210 Y HN -0.141 nan 8.280 nan 0.000 0.515 211 L N 0.963 121.894 121.223 -0.487 0.000 2.083 211 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 211 L C 2.517 179.190 176.870 -0.327 0.000 1.083 211 L CA 2.003 56.563 54.840 -0.467 0.000 0.752 211 L CB -1.173 40.664 42.059 -0.369 0.000 0.899 211 L HN 0.405 nan 8.230 nan 0.000 0.433 212 E N -1.182 118.846 120.200 -0.285 0.000 2.028 212 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 212 E C 2.135 178.629 176.600 -0.176 0.000 0.988 212 E CA 1.265 57.524 56.400 -0.236 0.000 0.799 212 E CB -0.110 29.417 29.700 -0.288 0.000 0.755 212 E HN 0.626 nan 8.360 nan 0.000 0.447 213 H N -0.590 118.410 119.070 -0.117 0.000 2.422 213 H HA -0.020 4.535 4.556 -0.000 0.000 0.298 213 H C 1.970 177.211 175.328 -0.146 0.000 1.098 213 H CA 0.859 56.865 56.048 -0.070 0.000 1.315 213 H CB 0.238 30.057 29.762 0.095 0.000 1.382 213 H HN -0.019 nan 8.280 nan 0.000 0.523 214 R N 0.076 120.457 120.500 -0.197 0.000 2.276 214 R HA 0.031 4.371 4.340 -0.001 0.000 0.203 214 R C 1.118 177.317 176.300 -0.168 0.000 1.017 214 R CA 0.754 56.691 56.100 -0.272 0.000 1.010 214 R CB -0.024 29.951 30.300 -0.542 0.000 0.900 214 R HN 0.532 nan 8.270 nan 0.000 0.469 215 G N 1.036 109.756 108.800 -0.134 0.000 2.160 215 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.244 215 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.244 215 G C 0.500 175.338 174.900 -0.104 0.000 1.022 215 G CA 0.002 45.046 45.100 -0.094 0.000 0.741 215 G HN 0.188 nan 8.290 nan 0.000 0.508 216 L N -0.439 120.697 121.223 -0.145 0.000 2.221 216 L HA 0.490 4.829 4.340 -0.001 0.000 0.202 216 L C 1.362 178.178 176.870 -0.091 0.000 1.074 216 L CA 2.040 56.807 54.840 -0.121 0.000 0.795 216 L CB -0.113 41.848 42.059 -0.162 0.000 0.960 216 L HN 0.502 nan 8.230 nan 0.000 0.458 217 K N -0.469 119.867 120.400 -0.106 0.000 2.542 217 K HA 0.131 4.450 4.320 -0.001 0.000 0.259 217 K C -1.489 175.059 176.600 -0.086 0.000 0.932 217 K CA -0.609 55.633 56.287 -0.075 0.000 0.820 217 K CB 1.758 34.225 32.500 -0.054 0.000 1.345 217 K HN -0.221 nan 8.250 nan 0.000 0.432 218 D N 2.647 123.009 120.400 -0.063 0.000 2.422 218 D HA 0.055 4.694 4.640 -0.001 0.000 0.227 218 D C 0.457 176.720 176.300 -0.062 0.000 1.190 218 D CA -0.005 53.955 54.000 -0.066 0.000 0.905 218 D CB 0.921 41.692 40.800 -0.048 0.000 1.034 218 D HN 0.566 nan 8.370 nan 0.000 0.507 219 T N -0.653 113.854 114.554 -0.079 0.000 3.145 219 T HA -0.011 4.338 4.350 -0.001 0.000 0.255 219 T C 1.680 176.341 174.700 -0.065 0.000 1.039 219 T CA 0.247 62.309 62.100 -0.063 0.000 0.928 219 T CB -0.216 68.610 68.868 -0.070 0.000 1.029 219 T HN 0.197 nan 8.240 nan 0.000 0.554 220 S N 2.079 117.736 115.700 -0.072 0.000 2.440 220 S HA -0.090 4.379 4.470 -0.001 0.000 0.238 220 S C 1.621 176.193 174.600 -0.046 0.000 1.010 220 S CA 0.494 58.654 58.200 -0.067 0.000 0.972 220 S CB -0.513 62.649 63.200 -0.064 0.000 0.774 220 S HN 0.638 nan 8.310 nan 0.000 0.501 221 K N 0.819 121.198 120.400 -0.035 0.000 2.404 221 K HA 0.204 4.524 4.320 -0.001 0.000 0.194 221 K C 0.181 176.779 176.600 -0.003 0.000 1.023 221 K CA 0.018 56.294 56.287 -0.019 0.000 1.094 221 K CB 0.186 32.669 32.500 -0.029 0.000 0.841 221 K HN 0.551 nan 8.250 nan 0.000 0.523 222 Q N 0.925 120.718 119.800 -0.012 0.000 2.243 222 Q HA 0.198 4.537 4.340 -0.001 0.000 0.252 222 Q C -0.611 175.380 176.000 -0.014 0.000 0.909 222 Q CA 0.043 55.851 55.803 0.008 0.000 0.922 222 Q CB 1.741 30.485 28.738 0.011 0.000 1.215 222 Q HN -0.100 nan 8.270 nan 0.000 0.427 223 T N 1.294 115.847 114.554 -0.002 0.000 2.863 223 T HA 0.442 4.791 4.350 -0.001 0.000 0.285 223 T C -0.723 173.896 174.700 -0.136 0.000 1.009 223 T CA -0.558 61.464 62.100 -0.131 0.000 0.989 223 T CB 1.421 70.156 68.868 -0.221 0.000 1.004 223 T HN 0.247 nan 8.240 nan 0.000 0.455 224 V N 3.660 123.449 119.914 -0.209 0.000 2.384 224 V HA 0.417 4.537 4.120 -0.001 0.000 0.287 224 V C -1.241 174.754 176.094 -0.165 0.000 1.020 224 V CA -0.775 61.475 62.300 -0.084 0.000 0.850 224 V CB 0.527 32.318 31.823 -0.054 0.000 0.987 224 V HN 0.793 nan 8.190 nan 0.000 0.436 225 Y N 2.797 123.169 120.300 0.119 0.000 2.335 225 Y HA 0.707 5.256 4.550 -0.001 0.000 0.338 225 Y C 0.421 176.409 175.900 0.148 0.000 0.977 225 Y CA -0.594 57.585 58.100 0.132 0.000 1.114 225 Y CB 1.962 40.592 38.460 0.282 0.000 1.182 225 Y HN 0.663 nan 8.280 nan 0.000 0.463 226 A N 4.467 127.375 122.820 0.146 0.000 2.285 226 A HA 0.659 4.979 4.320 -0.001 0.000 0.310 226 A C -1.512 176.007 177.584 -0.108 0.000 1.266 226 A CA -0.530 51.526 52.037 0.031 0.000 0.832 226 A CB -0.123 18.728 19.000 -0.248 0.000 1.163 226 A HN 0.603 nan 8.150 nan 0.000 0.499 227 F N 3.084 123.071 119.950 0.062 0.000 2.390 227 F HA 0.501 5.028 4.527 -0.001 0.000 0.361 227 F C 0.178 175.983 175.800 0.008 0.000 1.124 227 F CA -0.031 57.999 58.000 0.049 0.000 1.149 227 F CB 0.904 40.008 39.000 0.174 0.000 1.160 227 F HN 0.390 nan 8.300 nan 0.000 0.501 228 L N 2.235 123.450 121.223 -0.012 0.000 2.303 228 L HA 0.853 5.193 4.340 -0.001 0.000 0.266 228 L C 0.566 177.440 176.870 0.007 0.000 1.011 228 L CA -1.152 53.661 54.840 -0.045 0.000 0.818 228 L CB 1.547 43.473 42.059 -0.222 0.000 1.326 228 L HN 0.588 nan 8.230 nan 0.000 0.435 229 G N -0.867 107.952 108.800 0.032 0.000 2.434 229 G HA2 0.356 4.315 3.960 -0.001 0.000 0.330 229 G HA3 0.356 4.315 3.960 -0.001 0.000 0.330 229 G C 0.010 174.918 174.900 0.012 0.000 1.155 229 G CA -0.305 44.828 45.100 0.055 0.000 0.917 229 G HN 0.770 nan 8.290 nan 0.000 0.493 230 D N 0.166 120.575 120.400 0.014 0.000 2.183 230 D HA -0.052 4.587 4.640 -0.001 0.000 0.203 230 D C 2.161 178.470 176.300 0.015 0.000 0.969 230 D CA 1.097 55.097 54.000 0.000 0.000 0.842 230 D CB -0.761 40.037 40.800 -0.004 0.000 0.957 230 D HN 0.485 nan 8.370 nan 0.000 0.484 231 G N 0.704 109.522 108.800 0.031 0.000 2.422 231 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.218 231 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.218 231 G C 1.455 176.365 174.900 0.017 0.000 1.146 231 G CA 0.740 45.856 45.100 0.027 0.000 0.769 231 G HN 0.488 nan 8.290 nan 0.000 0.547 232 E N -0.187 120.024 120.200 0.018 0.000 2.204 232 E HA -0.129 4.220 4.350 -0.001 0.000 0.195 232 E C 2.178 178.777 176.600 -0.002 0.000 0.990 232 E CA 0.691 57.095 56.400 0.006 0.000 0.821 232 E CB -0.126 29.581 29.700 0.011 0.000 0.750 232 E HN 0.255 nan 8.360 nan 0.000 0.477 233 M N 1.025 120.625 119.600 0.001 0.000 2.539 233 M HA -0.082 4.397 4.480 -0.001 0.000 0.261 233 M C 0.889 177.194 176.300 0.008 0.000 1.069 233 M CA 1.008 56.315 55.300 0.011 0.000 1.081 233 M CB -0.583 32.036 32.600 0.032 0.000 1.412 233 M HN 0.052 nan 8.290 nan 0.000 0.482 234 D N 0.446 120.848 120.400 0.004 0.000 2.312 234 D HA -0.036 4.603 4.640 -0.001 0.000 0.211 234 D C 0.464 176.761 176.300 -0.005 0.000 0.964 234 D CA 0.509 54.509 54.000 -0.001 0.000 0.877 234 D CB 0.139 40.940 40.800 0.002 0.000 0.924 234 D HN 0.252 nan 8.370 nan 0.000 0.515 235 E N 0.683 120.881 120.200 -0.003 0.000 2.415 235 E HA -0.005 4.344 4.350 -0.001 0.000 0.263 235 E C -1.592 175.004 176.600 -0.006 0.000 0.995 235 E CA -1.246 55.152 56.400 -0.004 0.000 0.915 235 E CB 0.893 30.592 29.700 -0.002 0.000 0.951 235 E HN 0.084 nan 8.360 nan 0.000 0.449 236 P HA -0.177 nan 4.420 nan 0.000 0.217 236 P C 0.641 177.936 177.300 -0.009 0.000 1.148 236 P CA 1.278 64.370 63.100 -0.014 0.000 0.828 236 P CB 0.361 32.052 31.700 -0.014 0.000 0.783 237 E N -1.124 119.077 120.200 0.002 0.000 2.268 237 E HA -0.085 4.264 4.350 -0.001 0.000 0.195 237 E C 2.026 178.646 176.600 0.033 0.000 0.995 237 E CA 0.965 57.375 56.400 0.017 0.000 0.836 237 E CB -0.754 28.958 29.700 0.020 0.000 0.763 237 E HN 0.183 nan 8.360 nan 0.000 0.491 238 S N 0.359 116.071 115.700 0.020 0.000 2.368 238 S HA -0.084 4.385 4.470 -0.001 0.000 0.224 238 S C 1.490 176.126 174.600 0.060 0.000 1.029 238 S CA 1.188 59.408 58.200 0.033 0.000 0.988 238 S CB 0.018 63.223 63.200 0.008 0.000 0.838 238 S HN 0.205 nan 8.310 nan 0.000 0.462 239 K N -0.051 120.337 120.400 -0.020 0.000 2.380 239 K HA 0.205 4.525 4.320 -0.001 0.000 0.198 239 K C 2.016 178.532 176.600 -0.138 0.000 1.070 239 K CA 0.392 56.593 56.287 -0.144 0.000 1.040 239 K CB 0.165 32.533 32.500 -0.220 0.000 0.903 239 K HN 0.311 nan 8.250 nan 0.000 0.549 240 G N 1.470 110.234 108.800 -0.060 0.000 2.479 240 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.220 240 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.220 240 G C 1.181 176.068 174.900 -0.021 0.000 1.115 240 G CA 1.111 46.185 45.100 -0.043 0.000 0.757 240 G HN 0.315 nan 8.290 nan 0.000 0.560 241 A N 0.123 122.950 122.820 0.010 0.000 2.571 241 A HA 0.423 4.742 4.320 -0.001 0.000 0.274 241 A C 1.886 179.484 177.584 0.023 0.000 1.196 241 A CA 0.236 52.306 52.037 0.054 0.000 0.957 241 A CB -0.062 19.041 19.000 0.172 0.000 1.150 241 A HN 0.502 nan 8.150 nan 0.000 0.539 242 I N -1.675 118.864 120.570 -0.052 0.000 2.454 242 I HA -0.152 4.017 4.170 -0.001 0.000 0.254 242 I C 2.035 178.240 176.117 0.147 0.000 1.156 242 I CA 1.962 63.253 61.300 -0.015 0.000 1.433 242 I CB -0.980 36.697 38.000 -0.538 0.000 1.082 242 I HN 0.223 nan 8.210 nan 0.000 0.432 243 T N -0.494 114.070 114.554 0.017 0.000 3.007 243 T HA -0.012 4.337 4.350 -0.001 0.000 0.270 243 T C 1.795 176.500 174.700 0.009 0.000 1.107 243 T CA 0.731 62.851 62.100 0.033 0.000 1.118 243 T CB -0.486 68.373 68.868 -0.015 0.000 0.889 243 T HN 0.317 nan 8.240 nan 0.000 0.506 244 I N 2.222 122.784 120.570 -0.014 0.000 2.315 244 I HA 0.035 4.204 4.170 -0.001 0.000 0.248 244 I C 3.046 179.073 176.117 -0.151 0.000 1.117 244 I CA 0.834 62.083 61.300 -0.085 0.000 1.404 244 I CB -1.808 36.106 38.000 -0.143 0.000 1.071 244 I HN 0.381 nan 8.210 nan 0.000 0.419 245 A N 0.394 123.124 122.820 -0.151 0.000 2.019 245 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 245 A C 2.420 179.779 177.584 -0.375 0.000 1.164 245 A CA 2.227 54.053 52.037 -0.351 0.000 0.644 245 A CB -0.868 17.761 19.000 -0.619 0.000 0.805 245 A HN 0.422 nan 8.150 nan 0.000 0.449 246 T N -0.712 113.701 114.554 -0.234 0.000 2.852 246 T HA -0.044 4.306 4.350 -0.001 0.000 0.256 246 T C 2.059 176.674 174.700 -0.142 0.000 1.038 246 T CA 1.104 63.089 62.100 -0.191 0.000 1.141 246 T CB -0.180 68.647 68.868 -0.068 0.000 0.869 246 T HN 0.500 nan 8.240 nan 0.000 0.439 247 R N 1.149 121.585 120.500 -0.107 0.000 2.091 247 R HA -0.036 4.303 4.340 -0.001 0.000 0.238 247 R C 1.894 178.127 176.300 -0.111 0.000 1.136 247 R CA 1.024 57.069 56.100 -0.093 0.000 0.959 247 R CB -0.080 30.176 30.300 -0.073 0.000 0.856 247 R HN 0.307 nan 8.270 nan 0.000 0.437 248 E N 0.666 120.787 120.200 -0.131 0.000 2.465 248 E HA 0.020 4.369 4.350 -0.001 0.000 0.191 248 E C -0.325 176.196 176.600 -0.133 0.000 1.053 248 E CA 0.005 56.332 56.400 -0.121 0.000 0.869 248 E CB 0.334 29.969 29.700 -0.110 0.000 0.977 248 E HN 0.196 nan 8.360 nan 0.000 0.483 249 K N 0.874 121.173 120.400 -0.169 0.000 3.490 249 K HA -0.178 4.142 4.320 -0.001 0.000 0.273 249 K C -0.203 176.274 176.600 -0.205 0.000 0.916 249 K CA 0.222 56.399 56.287 -0.182 0.000 0.718 249 K CB -1.706 30.720 32.500 -0.123 0.000 1.477 249 K HN 0.203 nan 8.250 nan 0.000 0.452 250 L N 2.122 123.171 121.223 -0.290 0.000 2.391 250 L HA 0.018 4.357 4.340 -0.001 0.000 0.249 250 L C 1.018 177.685 176.870 -0.337 0.000 1.308 250 L CA -0.170 54.492 54.840 -0.296 0.000 1.209 250 L CB -0.385 41.464 42.059 -0.349 0.000 1.401 250 L HN 0.276 nan 8.230 nan 0.000 0.416 251 D N -0.883 119.365 120.400 -0.253 0.000 2.332 251 D HA -0.118 4.522 4.640 -0.001 0.000 0.244 251 D C 0.977 177.151 176.300 -0.210 0.000 1.136 251 D CA 0.072 53.929 54.000 -0.238 0.000 0.884 251 D CB -0.126 40.569 40.800 -0.175 0.000 0.906 251 D HN 0.418 nan 8.370 nan 0.000 0.520 252 N N 0.159 118.729 118.700 -0.216 0.000 2.234 252 N HA 0.101 4.841 4.740 -0.001 0.000 0.227 252 N C -0.440 174.929 175.510 -0.235 0.000 1.151 252 N CA -0.492 52.443 53.050 -0.190 0.000 0.865 252 N CB 0.312 38.714 38.487 -0.142 0.000 1.066 252 N HN 0.225 nan 8.380 nan 0.000 0.515 253 L N 0.266 121.315 121.223 -0.291 0.000 2.385 253 L HA 0.653 4.993 4.340 -0.001 0.000 0.273 253 L C -1.493 175.201 176.870 -0.292 0.000 0.990 253 L CA -0.809 53.856 54.840 -0.291 0.000 0.821 253 L CB 2.234 44.094 42.059 -0.331 0.000 1.279 253 L HN -0.133 nan 8.230 nan 0.000 0.412 254 V N 5.300 125.092 119.914 -0.203 0.000 2.525 254 V HA 0.458 4.577 4.120 -0.001 0.000 0.299 254 V C -0.805 175.385 176.094 0.160 0.000 1.034 254 V CA -0.442 61.797 62.300 -0.101 0.000 0.863 254 V CB 1.480 33.184 31.823 -0.198 0.000 0.999 254 V HN 0.507 nan 8.190 nan 0.000 0.423 255 F N 3.940 123.873 119.950 -0.027 0.000 2.411 255 F HA 0.571 5.098 4.527 -0.001 0.000 0.350 255 F C 0.224 175.858 175.800 -0.278 0.000 1.114 255 F CA -1.040 56.904 58.000 -0.094 0.000 1.135 255 F CB 1.852 40.818 39.000 -0.058 0.000 1.120 255 F HN 0.176 nan 8.300 nan 0.000 0.495 256 V N 6.629 126.369 119.914 -0.289 0.000 2.304 256 V HA 0.346 4.465 4.120 -0.001 0.000 0.278 256 V C 0.079 175.973 176.094 -0.333 0.000 1.018 256 V CA -0.607 61.437 62.300 -0.426 0.000 0.814 256 V CB 1.086 32.436 31.823 -0.788 0.000 1.021 256 V HN 0.444 nan 8.190 nan 0.000 0.440 257 I N 4.104 124.511 120.570 -0.271 0.000 2.315 257 I HA 0.324 4.493 4.170 -0.001 0.000 0.291 257 I C 0.320 176.347 176.117 -0.150 0.000 1.006 257 I CA -0.362 60.816 61.300 -0.204 0.000 1.265 257 I CB 1.194 39.059 38.000 -0.224 0.000 1.387 257 I HN 0.473 nan 8.210 nan 0.000 0.475 258 N N 6.498 125.151 118.700 -0.078 0.000 2.415 258 N HA 0.113 4.852 4.740 -0.001 0.000 0.250 258 N C -0.791 174.695 175.510 -0.041 0.000 1.127 258 N CA -0.315 52.705 53.050 -0.050 0.000 0.945 258 N CB 0.408 38.904 38.487 0.015 0.000 1.196 258 N HN 0.538 nan 8.380 nan 0.000 0.499 259 C N 4.160 123.420 119.300 -0.067 0.000 2.298 259 C HA 0.202 4.661 4.460 -0.001 0.000 0.451 259 C C 1.274 176.277 174.990 0.021 0.000 1.028 259 C CA -0.904 58.092 59.018 -0.038 0.000 1.324 259 C CB -1.899 25.784 27.740 -0.094 0.000 1.534 259 C HN 0.702 nan 8.230 nan 0.000 0.528 260 N N 1.198 119.920 118.700 0.036 0.000 2.322 260 N HA 0.071 4.810 4.740 -0.001 0.000 0.194 260 N C 0.825 176.385 175.510 0.083 0.000 1.126 260 N CA -0.166 52.921 53.050 0.061 0.000 0.845 260 N CB -0.443 38.090 38.487 0.076 0.000 0.976 260 N HN 0.666 nan 8.380 nan 0.000 0.475 261 L N -2.506 118.761 121.223 0.073 0.000 4.884 261 L HA -0.319 4.020 4.340 -0.001 0.000 0.430 261 L C -0.776 176.137 176.870 0.071 0.000 1.087 261 L CA 1.095 55.979 54.840 0.074 0.000 1.033 261 L CB -2.083 40.037 42.059 0.103 0.000 2.030 261 L HN 0.408 nan 8.230 nan 0.000 0.762 262 Q N -0.216 119.629 119.800 0.075 0.000 2.413 262 Q HA 0.729 5.068 4.340 -0.001 0.000 0.276 262 Q C -0.013 176.033 176.000 0.077 0.000 1.099 262 Q CA -0.932 54.917 55.803 0.076 0.000 0.814 262 Q CB 2.452 31.244 28.738 0.090 0.000 1.379 262 Q HN 0.289 nan 8.270 nan 0.000 0.436 263 R N 0.200 120.741 120.500 0.068 0.000 3.237 263 R HA 0.432 4.771 4.340 -0.001 0.000 0.193 263 R C 0.774 177.117 176.300 0.071 0.000 1.551 263 R CA -0.846 55.293 56.100 0.065 0.000 0.855 263 R CB -0.234 30.091 30.300 0.043 0.000 2.062 263 R HN 0.356 nan 8.270 nan 0.000 0.507 264 L N 0.790 122.046 121.223 0.055 0.000 2.084 264 L HA 0.048 4.388 4.340 -0.001 0.000 0.202 264 L C 0.393 177.297 176.870 0.057 0.000 1.074 264 L CA 2.040 56.917 54.840 0.062 0.000 0.757 264 L CB -0.810 41.278 42.059 0.047 0.000 0.918 264 L HN 0.602 nan 8.230 nan 0.000 0.444 265 D N -0.110 120.315 120.400 0.043 0.000 2.342 265 D HA 0.386 5.025 4.640 -0.001 0.000 0.221 265 D C 0.652 176.975 176.300 0.037 0.000 1.101 265 D CA 0.519 54.542 54.000 0.039 0.000 0.837 265 D CB 0.648 41.465 40.800 0.030 0.000 0.938 265 D HN 0.461 nan 8.370 nan 0.000 0.508 266 G N 0.408 109.233 108.800 0.043 0.000 2.343 266 G HA2 0.136 4.096 3.960 -0.001 0.000 0.289 266 G HA3 0.136 4.096 3.960 -0.001 0.000 0.289 266 G C -3.026 171.900 174.900 0.044 0.000 1.295 266 G CA -1.093 44.031 45.100 0.040 0.000 0.869 266 G HN -0.189 nan 8.290 nan 0.000 0.522 267 P HA 0.285 nan 4.420 nan 0.000 0.272 267 P C 1.311 178.634 177.300 0.038 0.000 1.223 267 P CA -0.133 62.993 63.100 0.045 0.000 0.784 267 P CB 1.468 33.194 31.700 0.043 0.000 0.923 268 V N 1.526 121.463 119.914 0.039 0.000 2.255 268 V HA -0.152 3.968 4.120 -0.001 0.000 0.247 268 V C 1.408 177.516 176.094 0.025 0.000 1.051 268 V CA 2.779 65.097 62.300 0.030 0.000 1.018 268 V CB -1.475 30.365 31.823 0.029 0.000 0.641 268 V HN 0.864 nan 8.190 nan 0.000 0.445 269 T N -3.014 111.556 114.554 0.027 0.000 3.160 269 T HA 0.474 4.823 4.350 -0.001 0.000 0.346 269 T C 0.806 175.520 174.700 0.025 0.000 1.027 269 T CA 0.115 62.228 62.100 0.021 0.000 1.287 269 T CB 0.726 69.605 68.868 0.017 0.000 0.997 269 T HN 0.298 nan 8.240 nan 0.000 0.518 270 G N 2.278 111.092 108.800 0.023 0.000 2.450 270 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.220 270 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.220 270 G C 1.274 176.182 174.900 0.014 0.000 1.130 270 G CA 0.377 45.489 45.100 0.021 0.000 0.760 270 G HN 0.639 nan 8.290 nan 0.000 0.557 271 N N 0.788 119.494 118.700 0.010 0.000 2.336 271 N HA 0.116 4.855 4.740 -0.001 0.000 0.189 271 N C 1.062 176.574 175.510 0.005 0.000 1.113 271 N CA 0.662 53.715 53.050 0.005 0.000 0.858 271 N CB 0.870 39.359 38.487 0.004 0.000 0.970 271 N HN 0.362 nan 8.380 nan 0.000 0.471 272 G N 0.078 108.884 108.800 0.009 0.000 3.262 272 G HA2 0.550 4.509 3.960 -0.001 0.000 0.229 272 G HA3 0.550 4.509 3.960 -0.001 0.000 0.229 272 G C -1.024 173.881 174.900 0.009 0.000 1.280 272 G CA -0.444 44.660 45.100 0.006 0.000 0.951 272 G HN -0.053 nan 8.290 nan 0.000 0.589 273 K N 0.306 120.708 120.400 0.004 0.000 2.664 273 K HA 0.269 4.589 4.320 -0.001 0.000 0.234 273 K C 0.356 176.970 176.600 0.024 0.000 0.980 273 K CA -0.583 55.708 56.287 0.006 0.000 0.996 273 K CB 2.126 34.595 32.500 -0.051 0.000 1.190 273 K HN 0.265 nan 8.250 nan 0.000 0.479 274 I N 2.657 123.243 120.570 0.027 0.000 2.248 274 I HA -0.271 3.899 4.170 -0.001 0.000 0.248 274 I C 1.505 177.625 176.117 0.005 0.000 1.107 274 I CA 1.673 62.983 61.300 0.016 0.000 1.373 274 I CB 0.026 38.034 38.000 0.014 0.000 1.055 274 I HN 0.649 nan 8.210 nan 0.000 0.418 275 I N 0.208 120.781 120.570 0.006 0.000 2.286 275 I HA -0.294 3.876 4.170 -0.001 0.000 0.248 275 I C 1.973 178.088 176.117 -0.003 0.000 1.115 275 I CA 1.180 62.456 61.300 -0.040 0.000 1.392 275 I CB -0.621 37.312 38.000 -0.111 0.000 1.065 275 I HN 0.284 nan 8.210 nan 0.000 0.418 276 N N 0.634 119.368 118.700 0.057 0.000 2.188 276 N HA -0.196 4.544 4.740 -0.001 0.000 0.184 276 N C 1.723 177.247 175.510 0.023 0.000 1.018 276 N CA 1.007 54.086 53.050 0.047 0.000 0.858 276 N CB -0.226 38.295 38.487 0.056 0.000 0.989 276 N HN 0.396 nan 8.380 nan 0.000 0.426 277 E N 0.147 120.359 120.200 0.019 0.000 2.058 277 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 277 E C 1.347 177.965 176.600 0.031 0.000 0.997 277 E CA 0.966 57.375 56.400 0.016 0.000 0.801 277 E CB 0.021 29.729 29.700 0.012 0.000 0.746 277 E HN 0.076 nan 8.360 nan 0.000 0.450 278 L N 1.390 122.637 121.223 0.039 0.000 2.056 278 L HA -0.138 4.202 4.340 -0.001 0.000 0.207 278 L C 2.464 179.408 176.870 0.124 0.000 1.078 278 L CA 1.945 56.849 54.840 0.107 0.000 0.749 278 L CB -0.903 41.171 42.059 0.024 0.000 0.901 278 L HN 0.277 nan 8.230 nan 0.000 0.433 279 E N -0.361 119.851 120.200 0.021 0.000 2.051 279 E HA -0.200 4.149 4.350 -0.001 0.000 0.192 279 E C 2.230 178.857 176.600 0.045 0.000 0.991 279 E CA 1.247 57.652 56.400 0.009 0.000 0.799 279 E CB -0.362 29.322 29.700 -0.027 0.000 0.748 279 E HN 0.429 nan 8.360 nan 0.000 0.449 280 G N 1.663 110.481 108.800 0.030 0.000 2.459 280 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.217 280 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.217 280 G C 1.634 176.534 174.900 0.000 0.000 1.183 280 G CA 0.931 46.040 45.100 0.015 0.000 0.776 280 G HN 0.403 nan 8.290 nan 0.000 0.552 281 I N -1.103 119.460 120.570 -0.013 0.000 2.353 281 I HA 0.036 4.205 4.170 -0.001 0.000 0.248 281 I C 2.329 178.337 176.117 -0.183 0.000 1.119 281 I CA 0.724 61.961 61.300 -0.105 0.000 1.417 281 I CB 0.037 37.942 38.000 -0.157 0.000 1.078 281 I HN 0.156 nan 8.210 nan 0.000 0.421 282 F N 1.079 120.908 119.950 -0.202 0.000 2.206 282 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 282 F C 2.464 178.188 175.800 -0.127 0.000 1.090 282 F CA 1.484 59.301 58.000 -0.306 0.000 1.323 282 F CB -0.277 38.489 39.000 -0.390 0.000 1.028 282 F HN 0.078 nan 8.300 nan 0.000 0.492 283 E N 0.186 120.451 120.200 0.108 0.000 2.072 283 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 283 E C 2.467 179.094 176.600 0.045 0.000 0.985 283 E CA 1.388 57.836 56.400 0.079 0.000 0.801 283 E CB -0.754 28.973 29.700 0.044 0.000 0.750 283 E HN 0.256 nan 8.360 nan 0.000 0.452 284 G N -0.103 108.700 108.800 0.005 0.000 2.443 284 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.219 284 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.219 284 G C 1.485 176.374 174.900 -0.019 0.000 1.131 284 G CA 0.680 45.770 45.100 -0.016 0.000 0.775 284 G HN 0.397 nan 8.290 nan 0.000 0.547 285 A N -0.476 122.324 122.820 -0.034 0.000 2.238 285 A HA 0.476 4.795 4.320 -0.001 0.000 0.208 285 A C 1.946 179.614 177.584 0.140 0.000 1.177 285 A CA 1.274 53.307 52.037 -0.007 0.000 0.804 285 A CB -0.348 18.561 19.000 -0.152 0.000 0.823 285 A HN 1.539 nan 8.150 nan 0.000 0.482 286 G N -2.928 105.959 108.800 0.145 0.000 2.159 286 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.227 286 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.227 286 G C -0.188 174.831 174.900 0.198 0.000 0.986 286 G CA -0.003 45.175 45.100 0.131 0.000 0.651 286 G HN 0.341 nan 8.290 nan 0.000 0.523 287 W N 0.457 121.740 121.300 -0.029 0.000 2.253 287 W HA 0.656 5.315 4.660 -0.001 0.000 0.348 287 W C 0.484 176.975 176.519 -0.046 0.000 1.229 287 W CA -1.110 56.217 57.345 -0.030 0.000 1.335 287 W CB 0.419 29.915 29.460 0.061 0.000 1.165 287 W HN 0.147 nan 8.180 nan 0.000 0.631 288 N N 0.800 119.592 118.700 0.153 0.000 2.408 288 N HA 0.310 5.049 4.740 -0.001 0.000 0.257 288 N C -1.537 173.998 175.510 0.042 0.000 1.064 288 N CA -0.046 53.027 53.050 0.038 0.000 0.952 288 N CB 0.602 39.062 38.487 -0.046 0.000 1.093 288 N HN 0.124 nan 8.380 nan 0.000 0.490 289 V N 5.404 125.319 119.914 0.001 0.000 2.398 289 V HA 0.444 4.564 4.120 -0.001 0.000 0.286 289 V C 0.204 176.230 176.094 -0.113 0.000 1.026 289 V CA -0.633 61.626 62.300 -0.068 0.000 0.868 289 V CB 0.973 32.761 31.823 -0.058 0.000 0.982 289 V HN 0.564 nan 8.190 nan 0.000 0.443 290 I N 4.961 125.429 120.570 -0.170 0.000 2.411 290 I HA 0.422 4.591 4.170 -0.001 0.000 0.284 290 I C -0.173 175.808 176.117 -0.226 0.000 1.012 290 I CA -0.643 60.546 61.300 -0.184 0.000 1.119 290 I CB 1.623 39.495 38.000 -0.213 0.000 1.261 290 I HN 0.484 nan 8.210 nan 0.000 0.448 291 K N 5.165 125.436 120.400 -0.216 0.000 2.227 291 K HA 0.472 4.792 4.320 -0.001 0.000 0.280 291 K C -0.656 175.776 176.600 -0.281 0.000 1.041 291 K CA -0.433 55.687 56.287 -0.277 0.000 0.905 291 K CB 1.991 34.311 32.500 -0.299 0.000 1.068 291 K HN 0.308 nan 8.250 nan 0.000 0.470 292 V N 5.926 125.657 119.914 -0.305 0.000 2.239 292 V HA 0.067 4.186 4.120 -0.001 0.000 0.267 292 V C 0.553 176.431 176.094 -0.359 0.000 1.056 292 V CA -0.327 61.816 62.300 -0.261 0.000 0.830 292 V CB 0.676 32.379 31.823 -0.201 0.000 1.090 292 V HN 0.834 nan 8.190 nan 0.000 0.459 293 M N 1.516 120.806 119.600 -0.517 0.000 2.276 293 M HA 0.219 4.698 4.480 -0.001 0.000 0.262 293 M C 0.321 176.025 176.300 -0.993 0.000 1.098 293 M CA 1.176 55.895 55.300 -0.968 0.000 1.167 293 M CB -0.121 31.630 32.600 -1.415 0.000 1.337 293 M HN 0.497 nan 8.290 nan 0.000 0.446 294 W N -0.202 120.975 121.300 -0.204 0.000 2.761 294 W HA 0.633 5.292 4.660 -0.001 0.000 0.340 294 W C 0.602 177.134 176.519 0.021 0.000 1.072 294 W CA -1.264 55.935 57.345 -0.244 0.000 1.215 294 W CB 0.689 29.760 29.460 -0.649 0.000 1.420 294 W HN 0.122 nan 8.180 nan 0.000 0.519 295 G N 0.218 109.317 108.800 0.498 0.000 2.653 295 G HA2 0.181 4.141 3.960 -0.001 0.000 0.265 295 G HA3 0.181 4.141 3.960 -0.001 0.000 0.265 295 G C 0.642 175.802 174.900 0.433 0.000 1.237 295 G CA -0.447 44.898 45.100 0.408 0.000 0.946 295 G HN 0.526 nan 8.290 nan 0.000 0.522 296 S N -0.583 115.286 115.700 0.282 0.000 2.419 296 S HA -0.103 4.367 4.470 -0.001 0.000 0.233 296 S C 2.320 177.069 174.600 0.247 0.000 1.016 296 S CA 0.826 59.164 58.200 0.231 0.000 0.974 296 S CB -0.147 63.139 63.200 0.143 0.000 0.786 296 S HN 0.554 nan 8.310 nan 0.000 0.492 297 R N -0.258 120.391 120.500 0.247 0.000 2.193 297 R HA -0.073 4.266 4.340 -0.001 0.000 0.229 297 R C 1.444 177.864 176.300 0.199 0.000 1.110 297 R CA 1.154 57.353 56.100 0.166 0.000 0.988 297 R CB -0.230 30.116 30.300 0.078 0.000 0.871 297 R HN 0.499 nan 8.270 nan 0.000 0.458 298 W N 1.002 122.421 121.300 0.198 0.000 2.770 298 W HA 0.004 4.663 4.660 -0.001 0.000 0.256 298 W C 1.483 178.087 176.519 0.142 0.000 1.291 298 W CA 0.131 57.567 57.345 0.153 0.000 1.396 298 W CB 0.048 29.568 29.460 0.101 0.000 1.114 298 W HN 0.016 nan 8.180 nan 0.000 0.637 299 D N 0.581 121.195 120.400 0.356 0.000 2.092 299 D HA -0.236 4.403 4.640 -0.001 0.000 0.193 299 D C 1.699 178.121 176.300 0.202 0.000 0.994 299 D CA 1.741 55.890 54.000 0.249 0.000 0.828 299 D CB -0.565 40.352 40.800 0.195 0.000 0.963 299 D HN 0.173 nan 8.370 nan 0.000 0.450 300 E N 0.222 120.535 120.200 0.189 0.000 2.160 300 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 300 E C 1.906 178.611 176.600 0.176 0.000 0.991 300 E CA 0.204 56.700 56.400 0.160 0.000 0.810 300 E CB -0.209 29.576 29.700 0.143 0.000 0.742 300 E HN 0.057 nan 8.360 nan 0.000 0.466 301 L N 0.208 121.561 121.223 0.215 0.000 1.994 301 L HA -0.110 4.229 4.340 -0.001 0.000 0.208 301 L C 2.059 179.027 176.870 0.163 0.000 1.071 301 L CA 1.668 56.614 54.840 0.177 0.000 0.745 301 L CB -1.064 41.087 42.059 0.153 0.000 0.892 301 L HN 0.291 nan 8.230 nan 0.000 0.431 302 L N -0.581 120.760 121.223 0.197 0.000 2.131 302 L HA -0.218 4.122 4.340 -0.001 0.000 0.210 302 L C 2.711 179.655 176.870 0.123 0.000 1.092 302 L CA 1.387 56.325 54.840 0.163 0.000 0.759 302 L CB -0.429 41.736 42.059 0.176 0.000 0.903 302 L HN 0.314 nan 8.230 nan 0.000 0.435 303 R N 0.948 121.521 120.500 0.122 0.000 2.062 303 R HA -0.197 4.143 4.340 -0.001 0.000 0.229 303 R C 2.295 178.645 176.300 0.082 0.000 1.128 303 R CA 1.672 57.829 56.100 0.095 0.000 0.960 303 R CB -0.190 30.167 30.300 0.095 0.000 0.855 303 R HN 0.142 nan 8.270 nan 0.000 0.432 304 K N 0.334 120.788 120.400 0.091 0.000 2.211 304 K HA -0.121 4.198 4.320 -0.001 0.000 0.203 304 K C -0.239 176.398 176.600 0.062 0.000 1.050 304 K CA 1.180 57.512 56.287 0.076 0.000 0.945 304 K CB -0.168 32.385 32.500 0.088 0.000 0.732 304 K HN 0.185 nan 8.250 nan 0.000 0.451 305 D N 0.041 120.483 120.400 0.069 0.000 2.351 305 D HA -0.015 4.624 4.640 -0.001 0.000 0.251 305 D C 0.276 176.605 176.300 0.048 0.000 1.137 305 D CA 0.280 54.313 54.000 0.056 0.000 0.879 305 D CB 1.457 42.298 40.800 0.068 0.000 1.181 305 D HN 0.270 nan 8.370 nan 0.000 0.448 306 T N -0.999 113.575 114.554 0.033 0.000 3.087 306 T HA 0.069 4.419 4.350 -0.001 0.000 0.283 306 T C 1.391 176.100 174.700 0.014 0.000 0.956 306 T CA 0.348 62.464 62.100 0.026 0.000 0.894 306 T CB -0.324 68.558 68.868 0.024 0.000 1.160 306 T HN 0.249 nan 8.240 nan 0.000 0.532 307 S N 0.931 116.637 115.700 0.009 0.000 2.439 307 S HA 0.442 4.911 4.470 -0.001 0.000 0.224 307 S C 2.152 176.742 174.600 -0.017 0.000 1.029 307 S CA 1.027 59.221 58.200 -0.009 0.000 0.946 307 S CB -0.639 62.551 63.200 -0.017 0.000 0.797 307 S HN 1.533 nan 8.310 nan 0.000 0.504 308 G N 1.096 109.895 108.800 -0.002 0.000 2.175 308 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.244 308 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.244 308 G C 0.770 175.657 174.900 -0.022 0.000 0.982 308 G CA 0.553 45.653 45.100 -0.000 0.000 0.641 308 G HN 0.515 nan 8.290 nan 0.000 0.527 309 K N 0.157 120.530 120.400 -0.044 0.000 2.152 309 K HA 0.199 4.518 4.320 -0.001 0.000 0.206 309 K C 2.433 179.022 176.600 -0.018 0.000 1.048 309 K CA 1.605 57.837 56.287 -0.091 0.000 0.933 309 K CB -0.356 32.096 32.500 -0.080 0.000 0.721 309 K HN 0.503 nan 8.250 nan 0.000 0.447 310 L N 0.103 121.346 121.223 0.034 0.000 2.005 310 L HA -0.187 4.153 4.340 -0.001 0.000 0.207 310 L C 1.821 178.736 176.870 0.074 0.000 1.072 310 L CA 1.092 55.968 54.840 0.060 0.000 0.744 310 L CB -0.302 41.830 42.059 0.122 0.000 0.895 310 L HN 0.190 nan 8.230 nan 0.000 0.433 311 I N 0.014 120.635 120.570 0.084 0.000 2.151 311 I HA -0.390 3.780 4.170 -0.001 0.000 0.243 311 I C 2.529 178.710 176.117 0.107 0.000 1.080 311 I CA 1.601 62.970 61.300 0.114 0.000 1.339 311 I CB -1.361 36.695 38.000 0.092 0.000 1.039 311 I HN 0.525 nan 8.210 nan 0.000 0.409 312 Q N 0.662 120.487 119.800 0.043 0.000 2.030 312 Q HA -0.255 4.084 4.340 -0.001 0.000 0.204 312 Q C 2.397 178.439 176.000 0.070 0.000 0.986 312 Q CA 1.899 57.714 55.803 0.019 0.000 0.843 312 Q CB -0.242 28.443 28.738 -0.088 0.000 0.904 312 Q HN 0.406 nan 8.270 nan 0.000 0.420 313 L N 0.388 121.658 121.223 0.078 0.000 2.079 313 L HA -0.185 4.154 4.340 -0.001 0.000 0.210 313 L C 2.181 179.141 176.870 0.150 0.000 1.081 313 L CA 1.878 56.769 54.840 0.085 0.000 0.752 313 L CB -0.347 41.642 42.059 -0.116 0.000 0.896 313 L HN 0.358 nan 8.230 nan 0.000 0.433 314 M N -0.846 118.903 119.600 0.249 0.000 2.175 314 M HA -0.144 4.335 4.480 -0.001 0.000 0.264 314 M C 1.820 178.333 176.300 0.355 0.000 1.063 314 M CA 1.286 56.892 55.300 0.511 0.000 1.119 314 M CB -0.452 32.467 32.600 0.532 0.000 1.377 314 M HN 0.327 nan 8.290 nan 0.000 0.415 315 N N 0.794 119.620 118.700 0.210 0.000 2.216 315 N HA -0.146 4.593 4.740 -0.001 0.000 0.183 315 N C 1.495 177.012 175.510 0.012 0.000 1.017 315 N CA 1.511 54.613 53.050 0.087 0.000 0.861 315 N CB -0.285 38.258 38.487 0.094 0.000 0.986 315 N HN 0.597 nan 8.380 nan 0.000 0.428 316 E N -0.203 120.032 120.200 0.058 0.000 2.230 316 E HA 0.015 4.365 4.350 -0.001 0.000 0.192 316 E C 0.065 176.677 176.600 0.020 0.000 0.987 316 E CA 0.426 56.850 56.400 0.040 0.000 0.841 316 E CB -0.346 29.396 29.700 0.070 0.000 0.783 316 E HN -0.094 nan 8.360 nan 0.000 0.481 317 T N 1.909 116.485 114.554 0.036 0.000 2.928 317 T HA 0.175 4.524 4.350 -0.001 0.000 0.305 317 T C -0.235 174.416 174.700 -0.082 0.000 1.035 317 T CA -0.271 61.780 62.100 -0.081 0.000 1.145 317 T CB 1.753 70.453 68.868 -0.281 0.000 0.963 317 T HN 0.049 nan 8.240 nan 0.000 0.545 318 V N 2.630 122.486 119.914 -0.097 0.000 2.834 318 V HA 0.195 4.314 4.120 -0.001 0.000 0.313 318 V C 0.920 177.063 176.094 0.082 0.000 1.060 318 V CA -0.531 61.765 62.300 -0.006 0.000 0.989 318 V CB 1.629 33.441 31.823 -0.018 0.000 1.041 318 V HN 0.872 nan 8.190 nan 0.000 0.459 319 D N 3.482 123.969 120.400 0.145 0.000 2.157 319 D HA -0.179 4.460 4.640 -0.001 0.000 0.191 319 D C 1.896 178.264 176.300 0.114 0.000 1.004 319 D CA 2.086 56.199 54.000 0.190 0.000 0.854 319 D CB -0.554 40.309 40.800 0.106 0.000 0.936 319 D HN 0.801 nan 8.370 nan 0.000 0.446 320 G N 0.498 109.315 108.800 0.028 0.000 2.442 320 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.219 320 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.219 320 G C 1.318 176.152 174.900 -0.110 0.000 1.141 320 G CA 1.016 46.104 45.100 -0.020 0.000 0.763 320 G HN 0.208 nan 8.290 nan 0.000 0.554 321 D N -0.501 119.772 120.400 -0.212 0.000 2.162 321 D HA -0.035 4.604 4.640 -0.001 0.000 0.203 321 D C 2.055 177.798 176.300 -0.928 0.000 0.967 321 D CA 0.510 54.201 54.000 -0.516 0.000 0.840 321 D CB -0.169 40.347 40.800 -0.474 0.000 0.972 321 D HN 0.346 nan 8.370 nan 0.000 0.482 322 Y N 1.666 121.694 120.300 -0.454 0.000 2.224 322 Y HA -0.137 4.412 4.550 -0.001 0.000 0.289 322 Y C 2.554 178.366 175.900 -0.147 0.000 1.146 322 Y CA 0.933 58.889 58.100 -0.239 0.000 1.182 322 Y CB -0.187 38.339 38.460 0.110 0.000 0.983 322 Y HN -0.064 nan 8.280 nan 0.000 0.524 323 Q N -0.884 118.942 119.800 0.044 0.000 2.167 323 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 323 Q C 2.168 178.162 176.000 -0.010 0.000 0.970 323 Q CA 1.640 57.473 55.803 0.051 0.000 0.855 323 Q CB -0.705 28.060 28.738 0.045 0.000 0.911 323 Q HN 0.421 nan 8.270 nan 0.000 0.438 324 T N 0.872 115.332 114.554 -0.157 0.000 2.904 324 T HA -0.048 4.301 4.350 -0.001 0.000 0.267 324 T C 1.366 176.032 174.700 -0.057 0.000 1.059 324 T CA 0.632 62.636 62.100 -0.160 0.000 1.137 324 T CB -0.156 68.576 68.868 -0.227 0.000 0.879 324 T HN 0.118 nan 8.240 nan 0.000 0.467 325 F N 1.785 121.790 119.950 0.092 0.000 2.186 325 F HA 0.114 4.641 4.527 -0.001 0.000 0.299 325 F C 2.083 178.056 175.800 0.288 0.000 1.090 325 F CA 0.374 58.478 58.000 0.174 0.000 1.307 325 F CB -0.640 38.485 39.000 0.208 0.000 1.019 325 F HN 0.087 nan 8.300 nan 0.000 0.489 326 K N 0.164 120.797 120.400 0.389 0.000 2.643 326 K HA -0.023 4.296 4.320 -0.001 0.000 0.193 326 K C 0.783 177.601 176.600 0.364 0.000 1.027 326 K CA 0.769 57.255 56.287 0.333 0.000 1.033 326 K CB -0.098 32.514 32.500 0.188 0.000 0.827 326 K HN 0.184 nan 8.250 nan 0.000 0.500 327 S N -0.493 115.377 115.700 0.284 0.000 2.619 327 S HA 0.128 4.597 4.470 -0.001 0.000 0.238 327 S C 0.608 175.225 174.600 0.030 0.000 1.068 327 S CA -0.377 57.904 58.200 0.134 0.000 0.926 327 S CB 0.386 63.595 63.200 0.015 0.000 0.864 327 S HN 0.168 nan 8.310 nan 0.000 0.493 328 K N 2.234 122.615 120.400 -0.032 0.000 3.323 328 K HA 0.316 4.635 4.320 -0.001 0.000 0.227 328 K C -0.055 176.248 176.600 -0.496 0.000 1.136 328 K CA 0.484 56.621 56.287 -0.250 0.000 1.540 328 K CB -0.294 31.928 32.500 -0.464 0.000 2.096 328 K HN 0.408 nan 8.250 nan 0.000 0.579 329 D N -3.797 116.258 120.400 -0.574 0.000 2.725 329 D HA 0.122 4.761 4.640 -0.001 0.000 0.292 329 D C 0.957 177.046 176.300 -0.352 0.000 1.288 329 D CA -0.092 53.144 54.000 -1.274 0.000 0.784 329 D CB -0.105 40.173 40.800 -0.870 0.000 1.308 329 D HN 0.347 nan 8.370 nan 0.000 0.429 330 G N 0.227 108.932 108.800 -0.158 0.000 2.597 330 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.222 330 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.222 330 G C 1.401 176.407 174.900 0.178 0.000 1.135 330 G CA 2.782 48.031 45.100 0.249 0.000 0.759 330 G HN 0.884 nan 8.290 nan 0.000 0.595 331 A N -0.064 122.803 122.820 0.078 0.000 1.865 331 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 331 A C 2.259 179.957 177.584 0.189 0.000 1.191 331 A CA 1.920 54.020 52.037 0.105 0.000 0.623 331 A CB -0.821 18.215 19.000 0.060 0.000 0.826 331 A HN 0.525 nan 8.150 nan 0.000 0.444 332 Y N 0.650 120.992 120.300 0.071 0.000 2.145 332 Y HA -0.187 4.363 4.550 -0.001 0.000 0.286 332 Y C 2.429 178.462 175.900 0.223 0.000 1.145 332 Y CA 2.003 60.181 58.100 0.130 0.000 1.148 332 Y CB -0.374 38.071 38.460 -0.025 0.000 0.981 332 Y HN 0.065 nan 8.280 nan 0.000 0.507 333 V N 1.919 122.082 119.914 0.415 0.000 2.343 333 V HA -0.347 3.773 4.120 -0.001 0.000 0.247 333 V C 2.398 178.630 176.094 0.230 0.000 1.051 333 V CA 2.412 64.836 62.300 0.206 0.000 1.036 333 V CB -0.901 31.065 31.823 0.239 0.000 0.654 333 V HN 0.526 nan 8.190 nan 0.000 0.451 334 R N 0.440 121.115 120.500 0.293 0.000 2.152 334 R HA -0.133 4.206 4.340 -0.001 0.000 0.232 334 R C 2.037 178.420 176.300 0.138 0.000 1.117 334 R CA 1.831 58.099 56.100 0.280 0.000 0.981 334 R CB -0.327 30.060 30.300 0.146 0.000 0.870 334 R HN 0.494 nan 8.270 nan 0.000 0.451 335 E N 0.100 120.345 120.200 0.075 0.000 2.201 335 E HA -0.042 4.308 4.350 -0.001 0.000 0.193 335 E C 0.849 177.289 176.600 -0.267 0.000 0.957 335 E CA 0.584 56.927 56.400 -0.095 0.000 0.858 335 E CB 0.263 29.886 29.700 -0.129 0.000 0.816 335 E HN 0.555 nan 8.360 nan 0.000 0.475 336 H N -1.806 117.121 119.070 -0.238 0.000 2.575 336 H HA 0.121 4.677 4.556 -0.001 0.000 0.267 336 H C 0.746 176.016 175.328 -0.097 0.000 0.966 336 H CA 0.409 56.323 56.048 -0.223 0.000 1.165 336 H CB 0.383 29.879 29.762 -0.443 0.000 1.433 336 H HN 0.110 nan 8.280 nan 0.000 0.544 337 F N -1.202 118.566 119.950 -0.303 0.000 2.495 337 F HA 0.135 4.661 4.527 -0.001 0.000 0.271 337 F C 1.098 176.664 175.800 -0.390 0.000 0.889 337 F CA -0.044 57.664 58.000 -0.488 0.000 1.129 337 F CB -0.506 37.915 39.000 -0.964 0.000 1.169 337 F HN -0.083 nan 8.300 nan 0.000 0.781 338 F N 1.254 121.103 119.950 -0.169 0.000 2.293 338 F HA 0.101 4.628 4.527 -0.001 0.000 0.300 338 F C 2.433 178.096 175.800 -0.228 0.000 1.086 338 F CA 1.247 59.103 58.000 -0.241 0.000 1.375 338 F CB -1.167 37.754 39.000 -0.132 0.000 1.045 338 F HN 0.156 nan 8.300 nan 0.000 0.516 339 G N -0.881 107.885 108.800 -0.058 0.000 3.279 339 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.230 339 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.230 339 G C 1.465 176.217 174.900 -0.248 0.000 1.230 339 G CA 0.032 45.054 45.100 -0.129 0.000 0.891 339 G HN 0.192 nan 8.290 nan 0.000 0.518 340 K N -0.625 119.547 120.400 -0.380 0.000 2.284 340 K HA 0.236 4.555 4.320 -0.001 0.000 0.198 340 K C -0.597 175.470 176.600 -0.887 0.000 1.048 340 K CA 0.403 56.283 56.287 -0.678 0.000 0.987 340 K CB 0.201 32.141 32.500 -0.933 0.000 0.800 340 K HN 0.305 nan 8.250 nan 0.000 0.486 341 Y N -1.531 118.710 120.300 -0.097 0.000 2.504 341 Y HA 0.265 4.815 4.550 -0.001 0.000 0.344 341 Y C -2.159 173.710 175.900 -0.053 0.000 1.023 341 Y CA -2.790 55.268 58.100 -0.069 0.000 1.020 341 Y CB 1.718 40.135 38.460 -0.072 0.000 1.282 341 Y HN -0.158 nan 8.280 nan 0.000 0.454 342 P HA -0.139 nan 4.420 nan 0.000 0.218 342 P C 0.671 177.999 177.300 0.046 0.000 1.148 342 P CA 1.713 64.840 63.100 0.045 0.000 0.822 342 P CB 0.464 32.184 31.700 0.034 0.000 0.784 343 E N -1.285 118.956 120.200 0.069 0.000 2.150 343 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 343 E C 1.865 178.496 176.600 0.052 0.000 0.985 343 E CA 1.744 58.172 56.400 0.046 0.000 0.814 343 E CB -0.650 29.069 29.700 0.031 0.000 0.752 343 E HN 0.406 nan 8.360 nan 0.000 0.466 344 T N -1.605 113.005 114.554 0.093 0.000 2.978 344 T HA 0.146 4.496 4.350 -0.001 0.000 0.262 344 T C 2.055 176.815 174.700 0.100 0.000 1.063 344 T CA 0.575 62.750 62.100 0.125 0.000 1.140 344 T CB -0.015 68.932 68.868 0.132 0.000 0.886 344 T HN 0.134 nan 8.240 nan 0.000 0.470 345 A N 1.959 124.809 122.820 0.050 0.000 1.898 345 A HA 0.420 4.739 4.320 -0.001 0.000 0.216 345 A C 2.793 180.337 177.584 -0.068 0.000 1.181 345 A CA 1.558 53.592 52.037 -0.005 0.000 0.620 345 A CB -1.371 17.625 19.000 -0.008 0.000 0.819 345 A HN 0.659 nan 8.150 nan 0.000 0.442 346 A N -0.028 122.773 122.820 -0.032 0.000 1.908 346 A HA -0.117 4.202 4.320 -0.001 0.000 0.218 346 A C 2.126 179.672 177.584 -0.063 0.000 1.181 346 A CA 1.600 53.618 52.037 -0.032 0.000 0.627 346 A CB -0.694 18.302 19.000 -0.006 0.000 0.818 346 A HN 0.486 nan 8.150 nan 0.000 0.445 347 L N -0.339 120.828 121.223 -0.093 0.000 2.127 347 L HA -0.143 4.196 4.340 -0.001 0.000 0.211 347 L C 1.953 178.620 176.870 -0.339 0.000 1.089 347 L CA 1.446 56.199 54.840 -0.146 0.000 0.757 347 L CB -0.301 41.677 42.059 -0.136 0.000 0.899 347 L HN 0.475 nan 8.230 nan 0.000 0.434 348 V N -5.036 114.563 119.914 -0.524 0.000 3.271 348 V HA 0.406 4.525 4.120 -0.001 0.000 0.327 348 V C 1.925 177.879 176.094 -0.233 0.000 1.389 348 V CA 0.330 62.164 62.300 -0.777 0.000 1.156 348 V CB -0.180 30.860 31.823 -1.304 0.000 1.103 348 V HN 0.161 nan 8.190 nan 0.000 0.453 349 A N 1.130 123.894 122.820 -0.092 0.000 1.873 349 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 349 A C 1.463 179.088 177.584 0.068 0.000 1.193 349 A CA 2.269 54.300 52.037 -0.009 0.000 0.629 349 A CB -0.611 18.389 19.000 0.000 0.000 0.826 349 A HN 0.573 nan 8.150 nan 0.000 0.447 350 D N -1.465 119.022 120.400 0.145 0.000 2.870 350 D HA 0.254 4.894 4.640 -0.001 0.000 0.241 350 D C -1.027 175.401 176.300 0.214 0.000 1.234 350 D CA 0.104 54.189 54.000 0.141 0.000 0.844 350 D CB -0.241 40.608 40.800 0.082 0.000 1.051 350 D HN 0.470 nan 8.370 nan 0.000 0.469 351 W N 0.295 121.534 121.300 -0.102 0.000 2.781 351 W HA 0.282 4.941 4.660 -0.001 0.000 0.345 351 W C 0.509 176.984 176.519 -0.075 0.000 1.085 351 W CA -0.989 56.291 57.345 -0.108 0.000 1.198 351 W CB 0.958 30.312 29.460 -0.177 0.000 1.423 351 W HN -0.271 nan 8.180 nan 0.000 0.532 352 T N -1.763 112.887 114.554 0.160 0.000 2.913 352 T HA 0.199 4.548 4.350 -0.001 0.000 0.287 352 T C 0.509 175.299 174.700 0.150 0.000 1.008 352 T CA -0.308 61.855 62.100 0.104 0.000 1.067 352 T CB 1.242 70.140 68.868 0.050 0.000 0.996 352 T HN 0.368 nan 8.240 nan 0.000 0.513 353 D N 0.701 121.170 120.400 0.115 0.000 2.182 353 D HA -0.108 4.531 4.640 -0.001 0.000 0.201 353 D C 1.927 178.338 176.300 0.186 0.000 0.986 353 D CA 1.217 55.298 54.000 0.134 0.000 0.847 353 D CB 0.081 40.930 40.800 0.082 0.000 0.942 353 D HN 0.719 nan 8.370 nan 0.000 0.467 354 E N 0.546 120.835 120.200 0.149 0.000 2.107 354 E HA -0.141 4.208 4.350 -0.001 0.000 0.191 354 E C 2.021 178.749 176.600 0.213 0.000 0.982 354 E CA 0.633 57.141 56.400 0.181 0.000 0.809 354 E CB -0.195 29.568 29.700 0.105 0.000 0.756 354 E HN 0.515 nan 8.360 nan 0.000 0.459 355 Q N 0.483 120.389 119.800 0.177 0.000 2.119 355 Q HA -0.064 4.275 4.340 -0.001 0.000 0.201 355 Q C 2.375 178.592 176.000 0.362 0.000 0.972 355 Q CA 0.819 56.731 55.803 0.182 0.000 0.847 355 Q CB -0.059 28.718 28.738 0.065 0.000 0.903 355 Q HN 0.315 nan 8.270 nan 0.000 0.433 356 I N -0.080 120.709 120.570 0.365 0.000 2.179 356 I HA -0.273 3.897 4.170 -0.001 0.000 0.242 356 I C 2.152 178.441 176.117 0.286 0.000 1.088 356 I CA 1.156 62.608 61.300 0.253 0.000 1.357 356 I CB -0.427 37.698 38.000 0.208 0.000 1.051 356 I HN 0.483 nan 8.210 nan 0.000 0.409 357 W N 1.656 123.025 121.300 0.116 0.000 2.468 357 W HA -0.154 4.505 4.660 -0.001 0.000 0.262 357 W C 2.127 178.711 176.519 0.109 0.000 1.241 357 W CA 0.994 58.406 57.345 0.112 0.000 1.232 357 W CB 0.233 29.749 29.460 0.093 0.000 1.124 357 W HN 0.136 nan 8.180 nan 0.000 0.597 358 A N 0.241 123.129 122.820 0.114 0.000 2.208 358 A HA 0.099 4.418 4.320 -0.001 0.000 0.209 358 A C 0.865 178.448 177.584 -0.001 0.000 1.161 358 A CA 0.039 52.089 52.037 0.022 0.000 0.782 358 A CB -0.621 18.421 19.000 0.069 0.000 0.816 358 A HN 0.129 nan 8.150 nan 0.000 0.477 359 L N 1.345 122.549 121.223 -0.032 0.000 2.499 359 L HA 0.059 4.398 4.340 -0.001 0.000 0.273 359 L C 0.128 177.111 176.870 0.188 0.000 1.195 359 L CA -0.107 54.683 54.840 -0.082 0.000 0.882 359 L CB 0.078 41.870 42.059 -0.445 0.000 1.133 359 L HN 0.283 nan 8.230 nan 0.000 0.483 360 N N 2.515 121.461 118.700 0.410 0.000 2.328 360 N HA 0.415 5.154 4.740 -0.001 0.000 0.299 360 N C -0.768 175.056 175.510 0.523 0.000 1.179 360 N CA -0.751 52.526 53.050 0.379 0.000 0.793 360 N CB 1.701 40.332 38.487 0.240 0.000 1.366 360 N HN 0.380 nan 8.380 nan 0.000 0.493 361 R N -0.269 120.395 120.500 0.274 0.000 2.539 361 R HA 0.257 4.596 4.340 -0.001 0.000 0.275 361 R C 1.356 177.681 176.300 0.041 0.000 1.077 361 R CA -0.038 56.083 56.100 0.036 0.000 1.097 361 R CB 0.326 30.384 30.300 -0.403 0.000 1.018 361 R HN 0.744 nan 8.270 nan 0.000 0.483 362 G N 1.431 110.191 108.800 -0.066 0.000 2.450 362 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.220 362 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.220 362 G C 1.235 176.077 174.900 -0.098 0.000 1.130 362 G CA 0.803 45.873 45.100 -0.051 0.000 0.760 362 G HN 0.748 nan 8.290 nan 0.000 0.557 363 G N -1.185 107.487 108.800 -0.214 0.000 2.776 363 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.209 363 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.209 363 G C 1.221 175.853 174.900 -0.448 0.000 1.145 363 G CA 0.329 45.244 45.100 -0.307 0.000 0.791 363 G HN 0.539 nan 8.290 nan 0.000 0.530 364 H N -0.764 118.220 119.070 -0.143 0.000 2.652 364 H HA 0.117 4.673 4.556 -0.001 0.000 0.274 364 H C -0.398 174.891 175.328 -0.064 0.000 1.021 364 H CA -0.203 55.733 56.048 -0.186 0.000 1.187 364 H CB 1.099 30.661 29.762 -0.333 0.000 1.505 364 H HN 0.246 nan 8.280 nan 0.000 0.530 365 D N 1.326 121.759 120.400 0.055 0.000 2.392 365 D HA 0.138 4.777 4.640 -0.001 0.000 0.228 365 D C -1.889 174.425 176.300 0.023 0.000 1.074 365 D CA -2.164 51.869 54.000 0.056 0.000 0.838 365 D CB 2.332 43.186 40.800 0.091 0.000 1.067 365 D HN -0.019 nan 8.370 nan 0.000 0.511 366 P HA -0.144 nan 4.420 nan 0.000 0.216 366 P C 1.118 178.385 177.300 -0.055 0.000 1.150 366 P CA 1.316 64.374 63.100 -0.070 0.000 0.843 366 P CB 0.419 31.938 31.700 -0.302 0.000 0.787 367 K N -0.331 119.980 120.400 -0.148 0.000 2.063 367 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 367 K C 1.920 178.634 176.600 0.189 0.000 1.048 367 K CA 1.224 57.527 56.287 0.026 0.000 0.928 367 K CB -0.259 32.241 32.500 0.001 0.000 0.713 367 K HN 0.089 nan 8.250 nan 0.000 0.442 368 K N 0.867 121.343 120.400 0.126 0.000 2.103 368 K HA -0.044 4.275 4.320 -0.001 0.000 0.204 368 K C 2.135 178.812 176.600 0.127 0.000 1.052 368 K CA 1.057 57.413 56.287 0.115 0.000 0.945 368 K CB -0.306 32.235 32.500 0.069 0.000 0.722 368 K HN 0.189 nan 8.250 nan 0.000 0.443 369 I N 0.077 120.744 120.570 0.162 0.000 2.179 369 I HA -0.298 3.871 4.170 -0.001 0.000 0.242 369 I C 2.432 178.765 176.117 0.361 0.000 1.088 369 I CA 1.154 62.587 61.300 0.221 0.000 1.357 369 I CB -0.386 37.750 38.000 0.228 0.000 1.051 369 I HN 0.019 nan 8.210 nan 0.000 0.409 370 Y N 1.768 122.263 120.300 0.325 0.000 2.165 370 Y HA -0.339 4.210 4.550 -0.001 0.000 0.286 370 Y C 2.519 178.604 175.900 0.308 0.000 1.155 370 Y CA 1.535 59.884 58.100 0.415 0.000 1.164 370 Y CB -0.404 38.351 38.460 0.491 0.000 0.978 370 Y HN 0.135 nan 8.280 nan 0.000 0.513 371 A N 0.382 123.348 122.820 0.243 0.000 1.908 371 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 371 A C 2.439 179.995 177.584 -0.047 0.000 1.181 371 A CA 2.049 54.141 52.037 0.090 0.000 0.627 371 A CB -1.539 17.536 19.000 0.126 0.000 0.818 371 A HN 0.622 nan 8.150 nan 0.000 0.445 372 A N -1.056 121.716 122.820 -0.079 0.000 1.858 372 A HA -0.025 4.295 4.320 -0.001 0.000 0.216 372 A C 1.986 179.346 177.584 -0.373 0.000 1.190 372 A CA 1.565 53.456 52.037 -0.243 0.000 0.617 372 A CB -0.831 17.966 19.000 -0.338 0.000 0.827 372 A HN 0.474 nan 8.150 nan 0.000 0.443 373 F N -0.044 119.698 119.950 -0.347 0.000 2.171 373 F HA -0.122 4.404 4.527 -0.001 0.000 0.300 373 F C 2.308 177.829 175.800 -0.464 0.000 1.090 373 F CA 1.795 59.429 58.000 -0.609 0.000 1.293 373 F CB -0.069 38.146 39.000 -1.308 0.000 1.013 373 F HN 0.145 nan 8.300 nan 0.000 0.486 374 K N 1.031 121.349 120.400 -0.137 0.000 2.057 374 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 374 K C 2.074 178.659 176.600 -0.025 0.000 1.050 374 K CA 1.309 57.594 56.287 -0.004 0.000 0.935 374 K CB -0.318 32.064 32.500 -0.196 0.000 0.715 374 K HN -0.094 nan 8.250 nan 0.000 0.439 375 K N 0.206 120.557 120.400 -0.081 0.000 2.057 375 K HA -0.066 4.254 4.320 -0.001 0.000 0.207 375 K C 1.905 178.450 176.600 -0.092 0.000 1.049 375 K CA 1.354 57.596 56.287 -0.075 0.000 0.931 375 K CB -0.323 32.122 32.500 -0.091 0.000 0.714 375 K HN 0.194 nan 8.250 nan 0.000 0.440 376 A N 1.388 124.121 122.820 -0.145 0.000 1.883 376 A HA -0.255 4.065 4.320 -0.001 0.000 0.217 376 A C 2.170 179.701 177.584 -0.088 0.000 1.186 376 A CA 1.974 53.919 52.037 -0.154 0.000 0.624 376 A CB -0.737 18.123 19.000 -0.234 0.000 0.822 376 A HN 0.572 nan 8.150 nan 0.000 0.444 377 Q N -0.444 119.347 119.800 -0.015 0.000 2.135 377 Q HA -0.241 4.098 4.340 -0.001 0.000 0.204 377 Q C 1.852 177.861 176.000 0.015 0.000 0.981 377 Q CA 1.956 57.791 55.803 0.053 0.000 0.856 377 Q CB -0.128 28.733 28.738 0.204 0.000 0.902 377 Q HN 0.832 nan 8.270 nan 0.000 0.425 378 E N -0.284 119.917 120.200 0.002 0.000 2.158 378 E HA -0.016 4.334 4.350 -0.001 0.000 0.191 378 E C 0.258 176.836 176.600 -0.036 0.000 0.982 378 E CA 0.569 56.963 56.400 -0.009 0.000 0.823 378 E CB 0.053 29.750 29.700 -0.004 0.000 0.766 378 E HN 0.174 nan 8.360 nan 0.000 0.468 379 T N 2.564 117.083 114.554 -0.058 0.000 2.934 379 T HA 0.043 4.393 4.350 -0.001 0.000 0.306 379 T C 0.153 174.800 174.700 -0.089 0.000 1.042 379 T CA 0.404 62.458 62.100 -0.077 0.000 1.145 379 T CB 0.469 69.277 68.868 -0.100 0.000 0.982 379 T HN -0.083 nan 8.240 nan 0.000 0.544 380 K N 1.149 121.498 120.400 -0.084 0.000 2.395 380 K HA 0.620 4.939 4.320 -0.001 0.000 0.247 380 K C 1.173 177.712 176.600 -0.102 0.000 0.973 380 K CA -0.441 55.792 56.287 -0.090 0.000 0.828 380 K CB 1.751 34.212 32.500 -0.065 0.000 1.272 380 K HN 0.742 nan 8.250 nan 0.000 0.439 381 G N 0.914 109.647 108.800 -0.111 0.000 2.253 381 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.251 381 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.251 381 G C -0.097 174.707 174.900 -0.159 0.000 0.998 381 G CA 1.053 46.083 45.100 -0.115 0.000 0.621 381 G HN 0.633 nan 8.290 nan 0.000 0.524 382 K N -1.035 119.242 120.400 -0.205 0.000 2.607 382 K HA 0.793 5.112 4.320 -0.001 0.000 0.287 382 K C -0.323 176.033 176.600 -0.406 0.000 0.996 382 K CA -0.424 55.683 56.287 -0.300 0.000 0.876 382 K CB 1.036 33.397 32.500 -0.232 0.000 1.496 382 K HN 1.198 nan 8.250 nan 0.000 0.415 383 A N 0.855 123.256 122.820 -0.697 0.000 2.286 383 A HA 0.597 4.916 4.320 -0.001 0.000 0.286 383 A C -0.519 176.739 177.584 -0.544 0.000 1.097 383 A CA -0.285 51.235 52.037 -0.862 0.000 0.821 383 A CB 0.739 18.723 19.000 -1.693 0.000 1.076 383 A HN 0.606 nan 8.150 nan 0.000 0.490 384 T N 0.350 114.712 114.554 -0.319 0.000 2.856 384 T HA 0.522 4.871 4.350 -0.001 0.000 0.283 384 T C -0.968 173.797 174.700 0.107 0.000 1.008 384 T CA -0.341 61.717 62.100 -0.070 0.000 0.997 384 T CB 1.448 70.222 68.868 -0.157 0.000 0.992 384 T HN 0.893 nan 8.240 nan 0.000 0.454 385 V N 4.613 124.576 119.914 0.082 0.000 2.487 385 V HA 0.626 4.746 4.120 -0.001 0.000 0.298 385 V C -1.149 174.788 176.094 -0.262 0.000 1.028 385 V CA -0.881 61.350 62.300 -0.116 0.000 0.860 385 V CB 1.021 32.502 31.823 -0.569 0.000 0.991 385 V HN 0.836 nan 8.190 nan 0.000 0.427 386 I N 7.567 127.947 120.570 -0.317 0.000 2.330 386 I HA 0.393 4.563 4.170 -0.001 0.000 0.289 386 I C -0.500 175.409 176.117 -0.346 0.000 1.001 386 I CA -0.445 60.629 61.300 -0.376 0.000 1.193 386 I CB 1.538 39.213 38.000 -0.542 0.000 1.345 386 I HN 0.406 nan 8.210 nan 0.000 0.461 387 L N 6.909 127.939 121.223 -0.322 0.000 2.270 387 L HA 0.558 4.897 4.340 -0.001 0.000 0.286 387 L C 0.357 177.058 176.870 -0.281 0.000 1.059 387 L CA -0.462 54.200 54.840 -0.297 0.000 0.839 387 L CB 0.947 42.828 42.059 -0.296 0.000 1.221 387 L HN 0.620 nan 8.230 nan 0.000 0.431 388 A N 2.858 125.534 122.820 -0.240 0.000 2.252 388 A HA 0.243 4.563 4.320 -0.001 0.000 0.309 388 A C -0.368 177.112 177.584 -0.173 0.000 1.285 388 A CA -0.385 51.526 52.037 -0.211 0.000 0.900 388 A CB -0.050 18.843 19.000 -0.178 0.000 1.157 388 A HN 0.795 nan 8.150 nan 0.000 0.536 389 H N 2.994 121.853 119.070 -0.351 0.000 2.878 389 H HA 0.370 4.925 4.556 -0.001 0.000 0.290 389 H C 0.344 175.492 175.328 -0.301 0.000 1.065 389 H CA 0.708 56.532 56.048 -0.373 0.000 1.477 389 H CB 0.494 29.903 29.762 -0.587 0.000 1.484 389 H HN 0.800 nan 8.280 nan 0.000 0.504 390 T N 2.277 116.704 114.554 -0.212 0.000 2.864 390 T HA 0.466 4.816 4.350 -0.001 0.000 0.289 390 T C -0.310 174.379 174.700 -0.019 0.000 1.082 390 T CA -0.994 60.958 62.100 -0.246 0.000 1.009 390 T CB 1.613 70.297 68.868 -0.308 0.000 1.234 390 T HN 0.409 nan 8.240 nan 0.000 0.526 391 I N 1.305 122.041 120.570 0.278 0.000 2.354 391 I HA 0.386 4.555 4.170 -0.001 0.000 0.286 391 I C 0.192 176.464 176.117 0.258 0.000 1.007 391 I CA -0.908 60.535 61.300 0.238 0.000 1.167 391 I CB 1.601 39.758 38.000 0.262 0.000 1.320 391 I HN 0.657 nan 8.210 nan 0.000 0.458 392 K N 5.150 125.661 120.400 0.186 0.000 2.412 392 K HA 0.288 4.607 4.320 -0.001 0.000 0.281 392 K C 1.033 177.758 176.600 0.208 0.000 1.027 392 K CA 0.822 57.222 56.287 0.188 0.000 0.989 392 K CB 0.457 33.050 32.500 0.155 0.000 0.935 392 K HN 0.880 nan 8.250 nan 0.000 0.475 393 G N 3.266 112.203 108.800 0.228 0.000 2.147 393 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.244 393 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.244 393 G C -0.293 174.758 174.900 0.253 0.000 1.005 393 G CA 0.301 45.531 45.100 0.217 0.000 0.713 393 G HN 0.764 nan 8.290 nan 0.000 0.515 394 Y N 0.578 120.973 120.300 0.158 0.000 2.895 394 Y HA 0.255 4.804 4.550 -0.001 0.000 0.334 394 Y C 1.617 177.676 175.900 0.264 0.000 1.261 394 Y CA 1.421 59.605 58.100 0.139 0.000 1.560 394 Y CB 0.264 38.789 38.460 0.108 0.000 1.253 394 Y HN 1.517 nan 8.280 nan 0.000 0.582 395 G N 5.261 113.898 108.800 -0.271 0.000 2.180 395 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.263 395 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.263 395 G C 0.619 175.678 174.900 0.266 0.000 0.989 395 G CA 0.674 45.705 45.100 -0.114 0.000 0.692 395 G HN 0.698 nan 8.290 nan 0.000 0.526 396 M N 0.393 120.114 119.600 0.202 0.000 2.428 396 M HA 0.317 4.797 4.480 -0.001 0.000 0.239 396 M C 2.101 178.383 176.300 -0.030 0.000 1.121 396 M CA 0.500 55.909 55.300 0.182 0.000 1.019 396 M CB 0.155 32.850 32.600 0.159 0.000 1.485 396 M HN 0.658 nan 8.290 nan 0.000 0.484 397 G N 2.358 111.096 108.800 -0.104 0.000 2.596 397 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.421 397 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.421 397 G C 0.458 175.250 174.900 -0.181 0.000 1.364 397 G CA 0.869 45.819 45.100 -0.251 0.000 0.954 397 G HN 0.591 nan 8.290 nan 0.000 0.524 398 D N -0.695 119.574 120.400 -0.219 0.000 4.408 398 D HA -0.390 4.249 4.640 -0.001 0.000 0.497 398 D C 2.095 178.369 176.300 -0.044 0.000 1.446 398 D CA 3.882 57.816 54.000 -0.109 0.000 1.381 398 D CB -1.369 39.365 40.800 -0.110 0.000 0.329 398 D HN 1.374 nan 8.370 nan 0.000 0.833 399 A N 2.183 124.988 122.820 -0.025 0.000 2.536 399 A HA 0.561 4.880 4.320 -0.001 0.000 0.219 399 A C 1.438 179.044 177.584 0.037 0.000 1.926 399 A CA 1.269 53.314 52.037 0.014 0.000 0.710 399 A CB -0.735 18.282 19.000 0.028 0.000 1.364 399 A HN 0.634 nan 8.150 nan 0.000 0.522 415 D N 1.086 121.522 120.400 0.060 0.000 2.178 415 D HA 0.004 4.643 4.640 -0.001 0.000 0.201 415 D C 1.965 178.327 176.300 0.103 0.000 0.980 415 D CA 1.946 55.990 54.000 0.074 0.000 0.842 415 D CB 0.045 40.876 40.800 0.051 0.000 0.948 415 D HN 0.567 nan 8.370 nan 0.000 0.472 416 G N 0.088 108.939 108.800 0.085 0.000 2.396 416 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.214 416 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.214 416 G C 1.772 176.770 174.900 0.163 0.000 1.166 416 G CA 0.428 45.588 45.100 0.100 0.000 0.793 416 G HN 0.230 nan 8.290 nan 0.000 0.533 417 V N 0.880 120.874 119.914 0.133 0.000 2.427 417 V HA -0.094 4.025 4.120 -0.001 0.000 0.248 417 V C 2.943 179.212 176.094 0.292 0.000 1.051 417 V CA 1.302 63.707 62.300 0.175 0.000 1.048 417 V CB -0.412 31.473 31.823 0.104 0.000 0.666 417 V HN 0.178 nan 8.190 nan 0.000 0.456 418 R N -0.307 120.321 120.500 0.214 0.000 2.083 418 R HA -0.181 4.158 4.340 -0.001 0.000 0.237 418 R C 2.314 178.715 176.300 0.168 0.000 1.137 418 R CA 1.919 58.124 56.100 0.175 0.000 0.951 418 R CB -1.189 29.183 30.300 0.121 0.000 0.851 418 R HN 0.689 nan 8.270 nan 0.000 0.434 419 H N 1.251 120.385 119.070 0.106 0.000 2.319 419 H HA -0.132 4.423 4.556 -0.001 0.000 0.299 419 H C 2.065 177.460 175.328 0.111 0.000 1.092 419 H CA 2.116 58.212 56.048 0.079 0.000 1.302 419 H CB -0.107 29.691 29.762 0.060 0.000 1.373 419 H HN 0.236 nan 8.280 nan 0.000 0.497 420 I N 0.030 120.771 120.570 0.286 0.000 2.394 420 I HA -0.119 4.050 4.170 -0.001 0.000 0.251 420 I C 2.648 178.981 176.117 0.359 0.000 1.136 420 I CA 1.140 62.655 61.300 0.359 0.000 1.425 420 I CB -0.465 37.844 38.000 0.515 0.000 1.079 420 I HN -0.021 nan 8.210 nan 0.000 0.425 421 R N 1.346 122.057 120.500 0.353 0.000 2.083 421 R HA -0.190 4.150 4.340 -0.001 0.000 0.237 421 R C 1.664 177.963 176.300 -0.002 0.000 1.137 421 R CA 2.323 58.509 56.100 0.142 0.000 0.951 421 R CB -0.813 29.516 30.300 0.048 0.000 0.851 421 R HN 0.482 nan 8.270 nan 0.000 0.434 422 D N -0.113 120.252 120.400 -0.059 0.000 2.123 422 D HA -0.141 4.498 4.640 -0.001 0.000 0.200 422 D C 1.982 178.145 176.300 -0.228 0.000 0.976 422 D CA 0.927 54.848 54.000 -0.133 0.000 0.831 422 D CB -0.305 40.411 40.800 -0.140 0.000 0.974 422 D HN 0.095 nan 8.370 nan 0.000 0.469 423 R N 0.356 120.610 120.500 -0.411 0.000 2.091 423 R HA -0.111 4.229 4.340 -0.001 0.000 0.238 423 R C 1.369 177.254 176.300 -0.692 0.000 1.136 423 R CA 1.286 56.991 56.100 -0.658 0.000 0.959 423 R CB -0.661 29.054 30.300 -0.975 0.000 0.856 423 R HN 0.148 nan 8.270 nan 0.000 0.437 424 F N 0.058 119.979 119.950 -0.048 0.000 2.641 424 F HA 0.327 4.853 4.527 -0.001 0.000 0.302 424 F C -0.139 175.658 175.800 -0.004 0.000 1.098 424 F CA -0.318 57.687 58.000 0.008 0.000 1.318 424 F CB -0.482 38.565 39.000 0.078 0.000 1.035 424 F HN 0.046 nan 8.300 nan 0.000 0.551 425 N N -0.008 118.718 118.700 0.042 0.000 2.725 425 N HA -0.166 4.574 4.740 -0.001 0.000 0.251 425 N C -0.783 174.726 175.510 -0.002 0.000 1.031 425 N CA -0.065 52.988 53.050 0.004 0.000 0.720 425 N CB -1.261 37.235 38.487 0.015 0.000 0.930 425 N HN -0.020 nan 8.380 nan 0.000 0.543 426 V N 1.245 121.122 119.914 -0.061 0.000 2.572 426 V HA 0.168 4.287 4.120 -0.001 0.000 0.291 426 V C -1.146 174.784 176.094 -0.272 0.000 1.039 426 V CA -0.918 61.258 62.300 -0.207 0.000 1.055 426 V CB 0.915 32.434 31.823 -0.507 0.000 0.969 426 V HN 0.178 nan 8.190 nan 0.000 0.482 427 P HA 0.158 nan 4.420 nan 0.000 0.235 427 P C -0.727 176.431 177.300 -0.237 0.000 1.765 427 P CA 0.213 63.215 63.100 -0.163 0.000 1.034 427 P CB 0.105 31.768 31.700 -0.062 0.000 1.984 428 V N 1.639 121.369 119.914 -0.306 0.000 2.525 428 V HA 0.197 4.317 4.120 -0.001 0.000 0.299 428 V C 0.781 176.777 176.094 -0.163 0.000 1.034 428 V CA -0.617 61.517 62.300 -0.277 0.000 0.863 428 V CB 1.930 33.457 31.823 -0.493 0.000 0.999 428 V HN 0.398 nan 8.190 nan 0.000 0.423 429 S N 2.237 117.885 115.700 -0.088 0.000 2.600 429 S HA 0.167 4.636 4.470 -0.001 0.000 0.265 429 S C 0.753 175.336 174.600 -0.028 0.000 1.325 429 S CA -0.311 57.859 58.200 -0.051 0.000 1.002 429 S CB 0.904 64.086 63.200 -0.030 0.000 0.921 429 S HN 0.663 nan 8.310 nan 0.000 0.554 430 D N 1.338 121.729 120.400 -0.015 0.000 2.178 430 D HA -0.033 4.607 4.640 -0.001 0.000 0.201 430 D C 2.145 178.452 176.300 0.011 0.000 0.980 430 D CA 1.686 55.688 54.000 0.004 0.000 0.842 430 D CB -0.780 40.023 40.800 0.004 0.000 0.948 430 D HN 0.715 nan 8.370 nan 0.000 0.472 431 A N 0.617 123.440 122.820 0.004 0.000 1.972 431 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 431 A C 1.626 179.218 177.584 0.012 0.000 1.169 431 A CA 1.462 53.503 52.037 0.007 0.000 0.635 431 A CB -0.095 18.906 19.000 0.002 0.000 0.810 431 A HN 0.019 nan 8.150 nan 0.000 0.446 432 D N -0.986 119.422 120.400 0.013 0.000 2.367 432 D HA 0.098 4.737 4.640 -0.001 0.000 0.207 432 D C 1.624 177.957 176.300 0.055 0.000 1.034 432 D CA -0.051 53.964 54.000 0.024 0.000 0.861 432 D CB -0.067 40.741 40.800 0.014 0.000 0.943 432 D HN 0.449 nan 8.370 nan 0.000 0.515 433 I N 1.166 121.776 120.570 0.068 0.000 2.264 433 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 433 I C 1.152 177.338 176.117 0.115 0.000 1.111 433 I CA 1.423 62.804 61.300 0.136 0.000 1.382 433 I CB 0.238 38.319 38.000 0.135 0.000 1.060 433 I HN -0.100 nan 8.210 nan 0.000 0.418 434 E N 0.415 120.652 120.200 0.061 0.000 2.478 434 E HA -0.176 4.173 4.350 -0.001 0.000 0.198 434 E C 1.623 178.228 176.600 0.009 0.000 1.046 434 E CA 0.570 56.990 56.400 0.033 0.000 0.870 434 E CB -0.102 29.611 29.700 0.020 0.000 0.818 434 E HN 0.384 nan 8.360 nan 0.000 0.527 435 K N 0.365 120.772 120.400 0.013 0.000 2.426 435 K HA 0.180 4.499 4.320 -0.001 0.000 0.193 435 K C -0.098 176.466 176.600 -0.060 0.000 1.028 435 K CA -0.018 56.257 56.287 -0.020 0.000 1.047 435 K CB 0.096 32.591 32.500 -0.009 0.000 0.821 435 K HN 0.022 nan 8.250 nan 0.000 0.513 436 L N 1.194 122.399 121.223 -0.031 0.000 3.739 436 L HA -0.173 4.166 4.340 -0.001 0.000 0.442 436 L C -2.127 174.623 176.870 -0.199 0.000 1.241 436 L CA -0.599 54.172 54.840 -0.116 0.000 0.819 436 L CB -1.592 40.339 42.059 -0.213 0.000 1.679 436 L HN 0.143 nan 8.230 nan 0.000 0.889 437 P HA 0.044 nan 4.420 nan 0.000 0.272 437 P C -0.490 176.850 177.300 0.067 0.000 1.223 437 P CA 0.096 63.179 63.100 -0.027 0.000 0.784 437 P CB 0.566 32.318 31.700 0.086 0.000 0.923 438 Y N 0.966 121.333 120.300 0.113 0.000 2.301 438 Y HA 0.346 4.895 4.550 -0.001 0.000 0.325 438 Y C 1.109 177.127 175.900 0.197 0.000 1.203 438 Y CA -0.449 57.709 58.100 0.097 0.000 1.255 438 Y CB 0.501 38.861 38.460 -0.167 0.000 1.232 438 Y HN 0.175 nan 8.280 nan 0.000 0.501 439 I N 2.394 123.207 120.570 0.406 0.000 2.437 439 I HA 0.433 4.602 4.170 -0.001 0.000 0.298 439 I C 0.024 176.186 176.117 0.075 0.000 0.984 439 I CA -0.456 60.922 61.300 0.130 0.000 1.214 439 I CB 1.630 39.597 38.000 -0.055 0.000 1.365 439 I HN 0.687 nan 8.210 nan 0.000 0.469 440 T N 1.650 116.128 114.554 -0.127 0.000 2.906 440 T HA 0.611 4.960 4.350 -0.001 0.000 0.295 440 T C -0.907 173.581 174.700 -0.354 0.000 1.075 440 T CA -0.655 61.314 62.100 -0.218 0.000 1.005 440 T CB 1.583 70.399 68.868 -0.087 0.000 1.136 440 T HN 0.123 nan 8.240 nan 0.000 0.498 441 F N 2.789 122.779 119.950 0.066 0.000 2.375 441 F HA 0.488 5.014 4.527 -0.001 0.000 0.361 441 F C -1.934 173.930 175.800 0.107 0.000 1.117 441 F CA -2.456 55.605 58.000 0.101 0.000 1.037 441 F CB 1.423 40.506 39.000 0.138 0.000 1.192 441 F HN 0.403 nan 8.300 nan 0.000 0.452 442 P HA -0.017 nan 4.420 nan 0.000 0.269 442 P C -0.213 177.005 177.300 -0.136 0.000 1.209 442 P CA -0.214 62.902 63.100 0.026 0.000 0.776 442 P CB 0.931 32.645 31.700 0.023 0.000 0.876 443 E N 0.414 120.371 120.200 -0.406 0.000 2.414 443 E HA 0.196 4.545 4.350 -0.001 0.000 0.263 443 E C 1.183 177.621 176.600 -0.270 0.000 1.000 443 E CA 0.977 56.938 56.400 -0.733 0.000 0.914 443 E CB -0.317 29.066 29.700 -0.529 0.000 0.948 443 E HN 0.780 nan 8.360 nan 0.000 0.444 444 G N 2.857 111.565 108.800 -0.154 0.000 2.258 444 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.233 444 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.233 444 G C 0.235 175.149 174.900 0.024 0.000 1.006 444 G CA 0.227 45.308 45.100 -0.032 0.000 0.620 444 G HN 0.849 nan 8.290 nan 0.000 0.511 445 S N 0.461 116.190 115.700 0.048 0.000 2.576 445 S HA 0.510 4.979 4.470 -0.001 0.000 0.276 445 S C 1.053 175.697 174.600 0.073 0.000 1.339 445 S CA 0.719 58.966 58.200 0.077 0.000 1.039 445 S CB 2.018 65.300 63.200 0.136 0.000 0.902 445 S HN 0.389 nan 8.310 nan 0.000 0.516 446 E N 1.458 121.672 120.200 0.024 0.000 2.086 446 E HA -0.255 4.095 4.350 -0.001 0.000 0.200 446 E C 1.748 178.325 176.600 -0.038 0.000 1.012 446 E CA 2.119 58.519 56.400 0.000 0.000 0.812 446 E CB -0.161 29.516 29.700 -0.038 0.000 0.743 446 E HN 0.858 nan 8.360 nan 0.000 0.453 447 E N -0.432 119.654 120.200 -0.190 0.000 2.058 447 E HA -0.212 4.137 4.350 -0.001 0.000 0.194 447 E C 2.040 178.519 176.600 -0.202 0.000 0.997 447 E CA 1.279 57.406 56.400 -0.456 0.000 0.801 447 E CB -0.333 28.530 29.700 -1.394 0.000 0.746 447 E HN 0.327 nan 8.360 nan 0.000 0.450 448 H N 0.255 119.278 119.070 -0.079 0.000 2.352 448 H HA -0.089 4.466 4.556 -0.001 0.000 0.299 448 H C 1.646 177.089 175.328 0.191 0.000 1.097 448 H CA 1.935 58.066 56.048 0.140 0.000 1.311 448 H CB 0.065 29.936 29.762 0.182 0.000 1.377 448 H HN 0.149 nan 8.280 nan 0.000 0.504 449 T N 0.149 114.861 114.554 0.263 0.000 2.708 449 T HA -0.185 4.164 4.350 -0.001 0.000 0.266 449 T C 1.803 176.583 174.700 0.132 0.000 1.037 449 T CA 1.531 63.754 62.100 0.205 0.000 1.146 449 T CB -0.714 68.248 68.868 0.157 0.000 0.865 449 T HN 0.406 nan 8.240 nan 0.000 0.435 450 Y N 1.444 121.730 120.300 -0.022 0.000 2.220 450 Y HA 0.010 4.560 4.550 -0.001 0.000 0.291 450 Y C 2.150 177.997 175.900 -0.088 0.000 1.129 450 Y CA 0.670 58.738 58.100 -0.054 0.000 1.161 450 Y CB -0.448 37.969 38.460 -0.071 0.000 0.997 450 Y HN 0.091 nan 8.280 nan 0.000 0.522 451 L N -0.311 120.959 121.223 0.078 0.000 1.989 451 L HA -0.288 4.051 4.340 -0.001 0.000 0.211 451 L C 2.359 179.105 176.870 -0.206 0.000 1.071 451 L CA 2.198 56.988 54.840 -0.083 0.000 0.749 451 L CB -1.029 40.911 42.059 -0.198 0.000 0.890 451 L HN 0.287 nan 8.230 nan 0.000 0.431 452 H N -0.643 118.374 119.070 -0.089 0.000 2.428 452 H HA 0.054 4.610 4.556 -0.001 0.000 0.296 452 H C 2.139 177.409 175.328 -0.096 0.000 1.062 452 H CA 1.186 57.204 56.048 -0.050 0.000 1.350 452 H CB -0.194 29.512 29.762 -0.094 0.000 1.403 452 H HN 0.561 nan 8.280 nan 0.000 0.533 453 A N 1.299 124.095 122.820 -0.039 0.000 1.877 453 A HA -0.168 4.151 4.320 -0.001 0.000 0.216 453 A C 2.367 179.815 177.584 -0.226 0.000 1.186 453 A CA 1.180 53.141 52.037 -0.126 0.000 0.620 453 A CB -0.217 18.687 19.000 -0.160 0.000 0.822 453 A HN 0.262 nan 8.150 nan 0.000 0.443 454 Q N -0.437 119.158 119.800 -0.342 0.000 2.096 454 Q HA -0.138 4.201 4.340 -0.001 0.000 0.204 454 Q C 2.164 178.024 176.000 -0.233 0.000 0.982 454 Q CA 1.214 56.803 55.803 -0.356 0.000 0.850 454 Q CB -0.428 28.044 28.738 -0.443 0.000 0.901 454 Q HN 0.485 nan 8.270 nan 0.000 0.422 455 R N 0.488 120.865 120.500 -0.206 0.000 2.090 455 R HA -0.029 4.310 4.340 -0.001 0.000 0.228 455 R C 2.089 178.212 176.300 -0.295 0.000 1.110 455 R CA 0.763 56.713 56.100 -0.250 0.000 0.973 455 R CB -0.280 29.786 30.300 -0.389 0.000 0.869 455 R HN 0.329 nan 8.270 nan 0.000 0.440 456 Q N 0.801 120.461 119.800 -0.234 0.000 2.119 456 Q HA -0.085 4.255 4.340 -0.001 0.000 0.201 456 Q C 1.824 177.687 176.000 -0.228 0.000 0.972 456 Q CA 1.281 56.961 55.803 -0.204 0.000 0.847 456 Q CB -0.154 28.516 28.738 -0.113 0.000 0.903 456 Q HN 0.172 nan 8.270 nan 0.000 0.433 457 K N 0.157 120.435 120.400 -0.204 0.000 2.360 457 K HA -0.013 4.306 4.320 -0.001 0.000 0.201 457 K C 1.058 177.533 176.600 -0.208 0.000 1.046 457 K CA 0.546 56.710 56.287 -0.204 0.000 0.945 457 K CB 0.110 32.512 32.500 -0.164 0.000 0.750 457 K HN 0.092 nan 8.250 nan 0.000 0.464 458 L N 0.348 121.480 121.223 -0.153 0.000 3.034 458 L HA 0.189 4.528 4.340 -0.001 0.000 0.245 458 L C -0.650 176.279 176.870 0.099 0.000 1.295 458 L CA -0.248 54.602 54.840 0.017 0.000 1.068 458 L CB -0.394 41.685 42.059 0.034 0.000 1.426 458 L HN 0.357 nan 8.230 nan 0.000 0.531 459 H N -1.315 117.714 119.070 -0.069 0.000 3.179 459 H HA -0.175 4.380 4.556 -0.001 0.000 0.250 459 H C 0.945 176.213 175.328 -0.099 0.000 1.142 459 H CA 0.973 56.985 56.048 -0.060 0.000 1.165 459 H CB -1.395 28.357 29.762 -0.016 0.000 1.253 459 H HN 0.670 nan 8.280 nan 0.000 0.325 460 G N -2.290 106.404 108.800 -0.177 0.000 2.265 460 G HA2 0.118 4.078 3.960 -0.001 0.000 0.246 460 G HA3 0.118 4.078 3.960 -0.001 0.000 0.246 460 G C -1.435 173.125 174.900 -0.566 0.000 1.299 460 G CA -0.572 44.311 45.100 -0.362 0.000 1.117 460 G HN 0.219 nan 8.290 nan 0.000 0.485 461 Y N 0.365 120.716 120.300 0.085 0.000 2.487 461 Y HA 0.813 5.362 4.550 -0.001 0.000 0.337 461 Y C 0.785 176.726 175.900 0.068 0.000 1.076 461 Y CA -0.650 57.502 58.100 0.087 0.000 1.115 461 Y CB 1.919 40.405 38.460 0.044 0.000 1.235 461 Y HN 0.813 nan 8.280 nan 0.000 0.468 462 L N 0.911 122.284 121.223 0.251 0.000 2.465 462 L HA 0.844 5.183 4.340 -0.001 0.000 0.257 462 L C -3.123 173.811 176.870 0.107 0.000 0.988 462 L CA -2.332 52.581 54.840 0.122 0.000 0.827 462 L CB 2.675 44.812 42.059 0.130 0.000 1.397 462 L HN 0.300 nan 8.230 nan 0.000 0.410 463 P HA 0.339 nan 4.420 nan 0.000 0.276 463 P C -0.968 175.987 177.300 -0.574 0.000 1.244 463 P CA -0.137 62.742 63.100 -0.367 0.000 0.801 463 P CB 1.722 33.124 31.700 -0.497 0.000 1.006 464 S N 0.882 116.384 115.700 -0.330 0.000 2.588 464 S HA 0.702 5.171 4.470 -0.001 0.000 0.269 464 S C -1.168 173.340 174.600 -0.153 0.000 1.157 464 S CA -0.933 57.125 58.200 -0.236 0.000 0.824 464 S CB 2.412 65.562 63.200 -0.083 0.000 1.126 464 S HN 0.711 nan 8.310 nan 0.000 0.464 465 R N 0.792 121.237 120.500 -0.092 0.000 2.626 465 R HA 0.423 4.762 4.340 -0.001 0.000 0.274 465 R C -1.702 174.587 176.300 -0.018 0.000 1.031 465 R CA -0.435 55.621 56.100 -0.072 0.000 0.898 465 R CB 1.899 32.149 30.300 -0.084 0.000 1.222 465 R HN 0.872 nan 8.270 nan 0.000 0.455 466 Q N 6.210 126.003 119.800 -0.011 0.000 2.368 466 Q HA 0.306 4.646 4.340 -0.001 0.000 0.256 466 Q C -1.851 174.180 176.000 0.053 0.000 0.980 466 Q CA -2.057 53.763 55.803 0.029 0.000 0.887 466 Q CB 1.659 30.424 28.738 0.045 0.000 1.221 466 Q HN 0.446 nan 8.270 nan 0.000 0.458 467 P HA -0.063 nan 4.420 nan 0.000 0.221 467 P C -0.525 176.914 177.300 0.232 0.000 1.150 467 P CA 0.819 63.996 63.100 0.128 0.000 0.800 467 P CB 0.474 32.224 31.700 0.082 0.000 0.787 468 N N -0.157 118.644 118.700 0.168 0.000 2.262 468 N HA 0.292 5.031 4.740 -0.001 0.000 0.295 468 N C -0.409 175.215 175.510 0.190 0.000 1.161 468 N CA -0.626 52.504 53.050 0.134 0.000 0.767 468 N CB 1.521 39.962 38.487 -0.078 0.000 1.499 468 N HN -0.057 nan 8.380 nan 0.000 0.476 469 F N -1.116 118.959 119.950 0.208 0.000 2.371 469 F HA 0.451 4.977 4.527 -0.001 0.000 0.329 469 F C 1.785 177.651 175.800 0.110 0.000 1.107 469 F CA -0.684 57.426 58.000 0.184 0.000 1.137 469 F CB 0.232 39.377 39.000 0.241 0.000 1.214 469 F HN 0.491 nan 8.300 nan 0.000 0.536 470 T N -1.875 112.823 114.554 0.240 0.000 2.976 470 T HA 0.022 4.371 4.350 -0.001 0.000 0.257 470 T C 0.534 175.329 174.700 0.158 0.000 1.051 470 T CA 0.435 62.602 62.100 0.112 0.000 1.141 470 T CB -0.695 68.236 68.868 0.105 0.000 0.881 470 T HN 0.819 nan 8.240 nan 0.000 0.461 471 E N 1.712 122.098 120.200 0.309 0.000 2.422 471 E HA 0.100 4.449 4.350 -0.001 0.000 0.260 471 E C -0.306 176.483 176.600 0.315 0.000 1.108 471 E CA -0.587 55.972 56.400 0.264 0.000 0.943 471 E CB 0.552 30.389 29.700 0.228 0.000 0.961 471 E HN 0.404 nan 8.360 nan 0.000 0.443 472 K N 3.411 123.933 120.400 0.203 0.000 2.293 472 K HA 0.266 4.585 4.320 -0.001 0.000 0.267 472 K C -0.838 175.875 176.600 0.189 0.000 1.010 472 K CA -0.579 55.822 56.287 0.189 0.000 0.875 472 K CB 0.666 33.227 32.500 0.102 0.000 1.106 472 K HN 0.524 nan 8.250 nan 0.000 0.450 473 L N 3.039 124.404 121.223 0.237 0.000 2.399 473 L HA 0.263 4.602 4.340 -0.001 0.000 0.266 473 L C 0.399 177.341 176.870 0.120 0.000 1.114 473 L CA -0.585 54.350 54.840 0.158 0.000 0.804 473 L CB 1.082 43.236 42.059 0.160 0.000 1.146 473 L HN 0.563 nan 8.230 nan 0.000 0.451 474 E N 3.860 124.111 120.200 0.085 0.000 2.373 474 E HA 0.302 4.652 4.350 -0.001 0.000 0.233 474 E C -0.488 176.155 176.600 0.071 0.000 1.035 474 E CA -0.300 56.143 56.400 0.072 0.000 0.930 474 E CB 0.574 30.305 29.700 0.052 0.000 1.278 474 E HN 0.430 nan 8.360 nan 0.000 0.452 475 L N 3.343 124.620 121.223 0.090 0.000 2.483 475 L HA 0.107 4.446 4.340 -0.001 0.000 0.276 475 L C -1.495 175.442 176.870 0.111 0.000 1.213 475 L CA -1.257 53.643 54.840 0.100 0.000 0.843 475 L CB -0.324 41.797 42.059 0.103 0.000 1.107 475 L HN 0.095 nan 8.230 nan 0.000 0.487 476 P HA 0.062 nan 4.420 nan 0.000 0.271 476 P C -0.631 176.842 177.300 0.288 0.000 1.218 476 P CA -0.408 62.760 63.100 0.113 0.000 0.780 476 P CB 0.998 32.703 31.700 0.009 0.000 0.901 477 S N 1.626 117.457 115.700 0.218 0.000 2.669 477 S HA 0.139 4.609 4.470 -0.001 0.000 0.270 477 S C 1.175 175.927 174.600 0.252 0.000 1.225 477 S CA -0.713 57.653 58.200 0.275 0.000 0.991 477 S CB 0.524 63.792 63.200 0.114 0.000 0.987 477 S HN 0.355 nan 8.310 nan 0.000 0.552 478 L N 1.140 122.282 121.223 -0.136 0.000 2.131 478 L HA -0.098 4.242 4.340 -0.001 0.000 0.210 478 L C 2.775 179.686 176.870 0.069 0.000 1.092 478 L CA 2.085 56.796 54.840 -0.214 0.000 0.759 478 L CB -1.083 40.679 42.059 -0.495 0.000 0.903 478 L HN 0.980 nan 8.230 nan 0.000 0.435 479 Q N -1.222 118.586 119.800 0.014 0.000 2.226 479 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 479 Q C 1.059 177.056 176.000 -0.006 0.000 0.975 479 Q CA 1.765 57.572 55.803 0.007 0.000 0.866 479 Q CB -0.425 28.307 28.738 -0.009 0.000 0.915 479 Q HN 0.519 nan 8.270 nan 0.000 0.440 480 D N 0.097 120.470 120.400 -0.045 0.000 2.310 480 D HA -0.077 4.562 4.640 -0.001 0.000 0.212 480 D C 0.390 176.501 176.300 -0.315 0.000 0.965 480 D CA 0.720 54.597 54.000 -0.205 0.000 0.879 480 D CB -0.089 40.523 40.800 -0.312 0.000 0.921 480 D HN 0.329 nan 8.370 nan 0.000 0.510 481 F N 0.137 120.075 119.950 -0.021 0.000 2.668 481 F HA 0.283 4.810 4.527 -0.001 0.000 0.297 481 F C 2.172 177.956 175.800 -0.027 0.000 1.124 481 F CA -0.502 57.484 58.000 -0.022 0.000 1.353 481 F CB 0.198 39.191 39.000 -0.010 0.000 0.992 481 F HN -0.126 nan 8.300 nan 0.000 0.524 482 G N 0.433 109.279 108.800 0.078 0.000 2.475 482 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.220 482 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.220 482 G C 1.927 176.848 174.900 0.036 0.000 1.125 482 G CA 0.995 46.120 45.100 0.042 0.000 0.755 482 G HN 0.438 nan 8.290 nan 0.000 0.565 483 A N 0.489 123.327 122.820 0.030 0.000 1.933 483 A HA 0.132 4.451 4.320 -0.001 0.000 0.218 483 A C 2.329 179.940 177.584 0.044 0.000 1.175 483 A CA 1.097 53.148 52.037 0.023 0.000 0.628 483 A CB -0.330 18.674 19.000 0.007 0.000 0.814 483 A HN 0.363 nan 8.150 nan 0.000 0.444 484 L N -0.548 120.722 121.223 0.079 0.000 2.465 484 L HA -0.011 4.329 4.340 -0.001 0.000 0.224 484 L C 1.807 178.748 176.870 0.117 0.000 1.145 484 L CA 0.284 55.182 54.840 0.095 0.000 0.834 484 L CB -0.217 41.915 42.059 0.122 0.000 0.944 484 L HN 0.366 nan 8.230 nan 0.000 0.451 485 L N -1.153 120.123 121.223 0.089 0.000 2.509 485 L HA 0.065 4.404 4.340 -0.001 0.000 0.222 485 L C 0.734 177.605 176.870 0.002 0.000 1.123 485 L CA 0.151 55.026 54.840 0.059 0.000 0.856 485 L CB -0.012 42.052 42.059 0.008 0.000 0.985 485 L HN 0.189 nan 8.230 nan 0.000 0.456 486 E N 0.349 120.558 120.200 0.014 0.000 2.250 486 E HA 0.144 4.493 4.350 -0.001 0.000 0.265 486 E C -0.163 176.439 176.600 0.003 0.000 1.033 486 E CA -0.556 55.839 56.400 -0.008 0.000 0.888 486 E CB 1.111 30.809 29.700 -0.004 0.000 1.151 486 E HN 0.032 nan 8.360 nan 0.000 0.412 487 E N 1.409 121.602 120.200 -0.012 0.000 2.442 487 E HA -0.097 4.253 4.350 -0.001 0.000 0.262 487 E C -0.650 175.949 176.600 -0.002 0.000 1.004 487 E CA -0.118 56.270 56.400 -0.020 0.000 0.928 487 E CB 0.554 30.266 29.700 0.019 0.000 0.937 487 E HN 0.224 nan 8.360 nan 0.000 0.446 488 Q N 2.266 122.050 119.800 -0.027 0.000 2.235 488 Q HA 0.064 4.403 4.340 -0.001 0.000 0.250 488 Q C 0.434 176.470 176.000 0.059 0.000 0.909 488 Q CA -0.093 55.715 55.803 0.008 0.000 0.910 488 Q CB 1.848 30.579 28.738 -0.011 0.000 1.223 488 Q HN 0.691 nan 8.270 nan 0.000 0.432 489 S N 2.904 118.635 115.700 0.053 0.000 2.335 489 S HA -0.062 4.408 4.470 -0.001 0.000 0.216 489 S C 0.656 175.300 174.600 0.074 0.000 1.032 489 S CA 1.025 59.263 58.200 0.063 0.000 1.000 489 S CB 0.210 63.433 63.200 0.038 0.000 0.928 489 S HN 0.483 nan 8.310 nan 0.000 0.434 490 K N 1.512 121.943 120.400 0.052 0.000 2.202 490 K HA 0.174 4.493 4.320 -0.001 0.000 0.264 490 K C -0.451 176.185 176.600 0.060 0.000 1.010 490 K CA -0.086 56.230 56.287 0.049 0.000 0.940 490 K CB 0.536 33.052 32.500 0.027 0.000 0.983 490 K HN 0.364 nan 8.250 nan 0.000 0.475 491 E N 3.124 123.364 120.200 0.066 0.000 2.259 491 E HA 0.192 4.541 4.350 -0.001 0.000 0.281 491 E C -0.232 176.374 176.600 0.010 0.000 1.037 491 E CA -0.185 56.257 56.400 0.070 0.000 0.854 491 E CB 0.612 30.368 29.700 0.094 0.000 1.051 491 E HN 0.403 nan 8.360 nan 0.000 0.409 492 I N -1.060 119.486 120.570 -0.040 0.000 3.466 492 I HA 0.613 4.783 4.170 -0.001 0.000 0.311 492 I C -0.362 175.636 176.117 -0.198 0.000 1.155 492 I CA -0.968 60.285 61.300 -0.077 0.000 0.959 492 I CB 2.041 40.015 38.000 -0.044 0.000 1.332 492 I HN 0.437 nan 8.210 nan 0.000 0.483 493 S N -0.805 114.797 115.700 -0.164 0.000 2.726 493 S HA 0.409 4.878 4.470 -0.001 0.000 0.308 493 S C 0.784 175.314 174.600 -0.117 0.000 1.115 493 S CA 0.173 58.230 58.200 -0.237 0.000 0.965 493 S CB 1.300 64.420 63.200 -0.134 0.000 1.145 493 S HN 0.882 nan 8.310 nan 0.000 0.532 494 T N -2.142 112.360 114.554 -0.087 0.000 3.035 494 T HA -0.025 4.324 4.350 -0.001 0.000 0.268 494 T C 1.516 176.250 174.700 0.058 0.000 1.109 494 T CA 1.572 63.673 62.100 0.002 0.000 1.119 494 T CB -1.087 67.796 68.868 0.025 0.000 0.900 494 T HN 0.600 nan 8.240 nan 0.000 0.503 495 T N 1.927 116.519 114.554 0.063 0.000 2.896 495 T HA 0.235 4.584 4.350 -0.001 0.000 0.263 495 T C 1.853 176.651 174.700 0.163 0.000 1.050 495 T CA 0.752 62.936 62.100 0.139 0.000 1.140 495 T CB -0.311 68.654 68.868 0.163 0.000 0.877 495 T HN 0.385 nan 8.240 nan 0.000 0.457 496 I N 1.418 122.034 120.570 0.076 0.000 2.286 496 I HA -0.153 4.016 4.170 -0.001 0.000 0.248 496 I C 2.894 179.019 176.117 0.012 0.000 1.115 496 I CA 0.944 62.265 61.300 0.035 0.000 1.392 496 I CB -0.442 37.560 38.000 0.003 0.000 1.065 496 I HN 0.186 nan 8.210 nan 0.000 0.418 497 A N 1.024 123.860 122.820 0.025 0.000 1.902 497 A HA -0.272 4.047 4.320 -0.001 0.000 0.217 497 A C 2.230 179.821 177.584 0.012 0.000 1.181 497 A CA 1.598 53.647 52.037 0.019 0.000 0.623 497 A CB -0.978 18.041 19.000 0.031 0.000 0.818 497 A HN 0.495 nan 8.150 nan 0.000 0.443 498 F N 1.081 120.994 119.950 -0.061 0.000 2.095 498 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 498 F C 2.071 177.793 175.800 -0.129 0.000 1.104 498 F CA 2.059 59.999 58.000 -0.101 0.000 1.232 498 F CB -0.602 38.337 39.000 -0.102 0.000 0.987 498 F HN 0.011 nan 8.300 nan 0.000 0.475 499 V N 1.213 120.814 119.914 -0.522 0.000 2.407 499 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 499 V C 2.540 178.395 176.094 -0.400 0.000 1.055 499 V CA 2.271 64.226 62.300 -0.574 0.000 1.049 499 V CB -0.807 30.893 31.823 -0.204 0.000 0.662 499 V HN 0.315 nan 8.190 nan 0.000 0.455 500 R N 0.084 120.445 120.500 -0.232 0.000 2.115 500 R HA -0.023 4.316 4.340 -0.001 0.000 0.230 500 R C 2.409 178.634 176.300 -0.126 0.000 1.111 500 R CA 1.272 57.286 56.100 -0.142 0.000 0.976 500 R CB -0.480 29.782 30.300 -0.063 0.000 0.870 500 R HN 0.533 nan 8.270 nan 0.000 0.445 501 A N 1.042 123.776 122.820 -0.143 0.000 1.969 501 A HA -0.085 4.234 4.320 -0.001 0.000 0.218 501 A C 2.090 179.602 177.584 -0.120 0.000 1.169 501 A CA 0.861 52.908 52.037 0.017 0.000 0.635 501 A CB -0.374 18.589 19.000 -0.061 0.000 0.810 501 A HN 0.208 nan 8.150 nan 0.000 0.445 502 L N -0.286 120.663 121.223 -0.457 0.000 2.093 502 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 502 L C 2.175 178.875 176.870 -0.284 0.000 1.085 502 L CA 1.029 55.556 54.840 -0.522 0.000 0.755 502 L CB -0.384 41.229 42.059 -0.743 0.000 0.904 502 L HN 0.454 nan 8.230 nan 0.000 0.435 503 N N -0.670 117.889 118.700 -0.235 0.000 2.244 503 N HA -0.131 4.608 4.740 -0.001 0.000 0.183 503 N C 1.762 177.182 175.510 -0.149 0.000 1.016 503 N CA 1.043 53.996 53.050 -0.161 0.000 0.866 503 N CB 0.120 38.525 38.487 -0.137 0.000 0.980 503 N HN 0.162 nan 8.380 nan 0.000 0.430 504 V N 1.753 121.567 119.914 -0.168 0.000 2.358 504 V HA -0.173 3.946 4.120 -0.001 0.000 0.246 504 V C 2.338 178.281 176.094 -0.251 0.000 1.047 504 V CA 1.312 63.448 62.300 -0.275 0.000 1.035 504 V CB -0.323 31.172 31.823 -0.547 0.000 0.658 504 V HN 0.265 nan 8.190 nan 0.000 0.452 505 M N -0.845 118.660 119.600 -0.158 0.000 2.213 505 M HA -0.127 4.352 4.480 -0.001 0.000 0.263 505 M C 2.006 178.264 176.300 -0.070 0.000 1.062 505 M CA 1.720 56.973 55.300 -0.078 0.000 1.105 505 M CB -0.395 32.196 32.600 -0.014 0.000 1.385 505 M HN 0.249 nan 8.290 nan 0.000 0.417 506 L N -0.063 121.107 121.223 -0.087 0.000 2.549 506 L HA -0.134 4.206 4.340 -0.001 0.000 0.229 506 L C 2.100 178.936 176.870 -0.057 0.000 1.158 506 L CA 0.514 55.319 54.840 -0.059 0.000 0.842 506 L CB -0.366 41.656 42.059 -0.062 0.000 0.952 506 L HN 0.208 nan 8.230 nan 0.000 0.452 507 K N -0.698 119.653 120.400 -0.081 0.000 2.352 507 K HA 0.067 4.386 4.320 -0.001 0.000 0.194 507 K C 0.674 177.235 176.600 -0.065 0.000 1.038 507 K CA -0.003 56.238 56.287 -0.076 0.000 1.023 507 K CB -0.122 32.317 32.500 -0.101 0.000 0.840 507 K HN 0.201 nan 8.250 nan 0.000 0.519 508 N N 2.181 120.842 118.700 -0.066 0.000 2.431 508 N HA -0.020 4.719 4.740 -0.001 0.000 0.265 508 N C 0.344 175.840 175.510 -0.023 0.000 1.184 508 N CA 0.234 53.257 53.050 -0.044 0.000 0.943 508 N CB 1.019 39.485 38.487 -0.035 0.000 1.080 508 N HN -0.186 nan 8.380 nan 0.000 0.477 509 K N 1.485 121.875 120.400 -0.018 0.000 2.147 509 K HA -0.075 4.244 4.320 -0.001 0.000 0.205 509 K C 1.846 178.444 176.600 -0.003 0.000 1.049 509 K CA 0.836 57.117 56.287 -0.011 0.000 0.936 509 K CB -0.224 32.272 32.500 -0.008 0.000 0.722 509 K HN 0.436 nan 8.250 nan 0.000 0.446 510 S N 0.247 115.949 115.700 0.004 0.000 2.383 510 S HA -0.024 4.445 4.470 -0.001 0.000 0.227 510 S C 1.589 176.190 174.600 0.001 0.000 1.026 510 S CA 1.243 59.450 58.200 0.011 0.000 0.981 510 S CB -0.042 63.175 63.200 0.028 0.000 0.818 510 S HN 0.436 nan 8.310 nan 0.000 0.472 511 I N -1.303 119.266 120.570 -0.001 0.000 4.288 511 I HA 0.296 4.466 4.170 -0.001 0.000 0.331 511 I C 1.668 177.784 176.117 -0.002 0.000 1.322 511 I CA -0.007 61.286 61.300 -0.012 0.000 1.149 511 I CB -0.210 37.786 38.000 -0.006 0.000 1.112 511 I HN 0.100 nan 8.210 nan 0.000 0.403 512 K N 1.347 121.746 120.400 -0.001 0.000 2.144 512 K HA -0.218 4.101 4.320 -0.001 0.000 0.209 512 K C 0.869 177.477 176.600 0.013 0.000 1.047 512 K CA 2.388 58.676 56.287 0.002 0.000 0.927 512 K CB -0.534 31.960 32.500 -0.010 0.000 0.716 512 K HN 0.341 nan 8.250 nan 0.000 0.454 513 D N -0.208 120.193 120.400 0.002 0.000 2.339 513 D HA 0.036 4.676 4.640 -0.001 0.000 0.217 513 D C 1.336 177.640 176.300 0.006 0.000 1.050 513 D CA 0.175 54.174 54.000 -0.001 0.000 0.856 513 D CB 0.344 41.129 40.800 -0.026 0.000 0.922 513 D HN 0.203 nan 8.370 nan 0.000 0.518 514 R N 0.138 120.642 120.500 0.006 0.000 2.280 514 R HA 0.202 4.542 4.340 -0.001 0.000 0.195 514 R C 0.817 177.146 176.300 0.049 0.000 0.935 514 R CA -0.099 56.001 56.100 0.001 0.000 1.033 514 R CB 0.100 30.356 30.300 -0.073 0.000 0.964 514 R HN 0.193 nan 8.270 nan 0.000 0.489 515 L N 1.272 122.549 121.223 0.089 0.000 2.426 515 L HA 0.158 4.497 4.340 -0.001 0.000 0.271 515 L C 0.108 177.116 176.870 0.230 0.000 1.169 515 L CA -0.194 54.752 54.840 0.177 0.000 0.836 515 L CB 0.905 43.079 42.059 0.191 0.000 1.112 515 L HN -0.291 nan 8.230 nan 0.000 0.465 516 V N 3.823 123.903 119.914 0.277 0.000 2.380 516 V HA 0.252 4.371 4.120 -0.001 0.000 0.268 516 V C -2.318 173.971 176.094 0.324 0.000 1.008 516 V CA -1.439 61.028 62.300 0.277 0.000 0.823 516 V CB 1.195 33.152 31.823 0.223 0.000 1.053 516 V HN 0.598 nan 8.190 nan 0.000 0.446 517 P HA 0.422 nan 4.420 nan 0.000 0.276 517 P C -0.577 176.919 177.300 0.326 0.000 1.235 517 P CA 0.157 63.479 63.100 0.370 0.000 0.772 517 P CB 0.790 32.668 31.700 0.297 0.000 0.871 518 I N 4.014 124.810 120.570 0.376 0.000 2.545 518 I HA 0.462 4.631 4.170 -0.001 0.000 0.292 518 I C -0.324 176.041 176.117 0.413 0.000 1.040 518 I CA -0.745 60.741 61.300 0.310 0.000 1.068 518 I CB 1.851 39.975 38.000 0.208 0.000 1.251 518 I HN 0.128 nan 8.210 nan 0.000 0.424 519 I N 4.043 124.811 120.570 0.329 0.000 2.828 519 I HA 0.593 4.762 4.170 -0.001 0.000 0.302 519 I C -0.149 176.140 176.117 0.287 0.000 1.101 519 I CA -0.332 61.190 61.300 0.370 0.000 1.031 519 I CB 2.303 40.518 38.000 0.359 0.000 1.231 519 I HN 0.615 nan 8.210 nan 0.000 0.427 520 A N 2.840 125.844 122.820 0.307 0.000 3.165 520 A HA 0.541 4.860 4.320 -0.001 0.000 0.331 520 A C 0.220 177.876 177.584 0.119 0.000 1.034 520 A CA -0.131 52.018 52.037 0.186 0.000 0.906 520 A CB -0.484 18.646 19.000 0.217 0.000 1.054 520 A HN 0.827 nan 8.150 nan 0.000 0.484 521 D N 0.266 120.739 120.400 0.121 0.000 3.059 521 D HA -0.181 4.458 4.640 -0.001 0.000 0.220 521 D C 0.477 176.825 176.300 0.081 0.000 1.169 521 D CA 2.186 56.243 54.000 0.094 0.000 0.902 521 D CB -1.000 39.834 40.800 0.055 0.000 1.116 521 D HN 0.738 nan 8.370 nan 0.000 0.417 522 E N -1.452 118.817 120.200 0.115 0.000 2.624 522 E HA 0.457 4.807 4.350 -0.001 0.000 0.210 522 E C 1.780 178.470 176.600 0.150 0.000 0.997 522 E CA 0.363 56.776 56.400 0.020 0.000 0.999 522 E CB 0.377 29.964 29.700 -0.188 0.000 1.040 522 E HN 0.325 nan 8.360 nan 0.000 0.469 523 A N 1.310 124.303 122.820 0.288 0.000 1.892 523 A HA -0.285 4.035 4.320 -0.001 0.000 0.218 523 A C 2.139 179.829 177.584 0.176 0.000 1.188 523 A CA 1.849 54.087 52.037 0.336 0.000 0.631 523 A CB -0.279 19.027 19.000 0.510 0.000 0.822 523 A HN 0.101 nan 8.150 nan 0.000 0.447 524 R N -0.768 119.809 120.500 0.129 0.000 2.083 524 R HA -0.106 4.233 4.340 -0.001 0.000 0.237 524 R C 2.201 178.497 176.300 -0.008 0.000 1.137 524 R CA 2.313 58.452 56.100 0.064 0.000 0.951 524 R CB -1.009 29.335 30.300 0.074 0.000 0.851 524 R HN 0.511 nan 8.270 nan 0.000 0.434 525 T N -0.119 114.372 114.554 -0.104 0.000 2.881 525 T HA -0.087 4.263 4.350 -0.001 0.000 0.270 525 T C 0.612 175.134 174.700 -0.298 0.000 1.068 525 T CA 1.074 63.035 62.100 -0.233 0.000 1.131 525 T CB -0.167 68.508 68.868 -0.321 0.000 0.871 525 T HN 0.112 nan 8.240 nan 0.000 0.479 526 F N 0.749 120.767 119.950 0.113 0.000 2.693 526 F HA 0.409 4.935 4.527 -0.002 0.000 0.303 526 F C 1.666 177.495 175.800 0.049 0.000 1.097 526 F CA -1.092 56.962 58.000 0.091 0.000 1.330 526 F CB -0.634 38.428 39.000 0.103 0.000 1.067 526 F HN 0.159 nan 8.300 nan 0.000 0.565 527 G N 1.592 110.463 108.800 0.119 0.000 2.370 527 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.293 527 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.293 527 G C 0.517 175.417 174.900 -0.000 0.000 0.992 527 G CA 0.382 45.507 45.100 0.041 0.000 1.247 527 G HN 0.419 nan 8.290 nan 0.000 0.505 528 M N 0.031 119.582 119.600 -0.083 0.000 2.416 528 M HA 0.107 4.587 4.480 -0.001 0.000 0.337 528 M C 1.907 177.811 176.300 -0.659 0.000 1.074 528 M CA 0.211 55.368 55.300 -0.239 0.000 0.968 528 M CB 0.282 32.810 32.600 -0.120 0.000 1.472 528 M HN 0.477 nan 8.290 nan 0.000 0.539 529 E N 0.601 120.479 120.200 -0.537 0.000 2.338 529 E HA -0.089 4.260 4.350 -0.001 0.000 0.197 529 E C 1.637 178.036 176.600 -0.334 0.000 1.007 529 E CA 1.505 57.545 56.400 -0.601 0.000 0.849 529 E CB -0.484 29.134 29.700 -0.136 0.000 0.774 529 E HN 0.508 nan 8.360 nan 0.000 0.506 530 G N 1.705 110.366 108.800 -0.232 0.000 2.421 530 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.217 530 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.217 530 G C 1.728 176.567 174.900 -0.101 0.000 1.143 530 G CA 0.337 45.368 45.100 -0.116 0.000 0.784 530 G HN 0.189 nan 8.290 nan 0.000 0.541 531 L N -0.344 120.773 121.223 -0.178 0.000 2.156 531 L HA 0.052 4.391 4.340 -0.001 0.000 0.208 531 L C 2.593 179.522 176.870 0.098 0.000 1.095 531 L CA 0.331 55.131 54.840 -0.067 0.000 0.770 531 L CB -0.409 41.606 42.059 -0.073 0.000 0.914 531 L HN 0.062 nan 8.230 nan 0.000 0.439 532 F N 0.810 120.791 119.950 0.050 0.000 2.069 532 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 532 F C 2.722 178.546 175.800 0.040 0.000 1.113 532 F CA 1.077 59.110 58.000 0.055 0.000 1.214 532 F CB -1.130 37.904 39.000 0.057 0.000 0.978 532 F HN 0.015 nan 8.300 nan 0.000 0.474 533 R N 0.070 120.707 120.500 0.229 0.000 2.091 533 R HA -0.210 4.129 4.340 -0.001 0.000 0.238 533 R C 2.120 178.476 176.300 0.093 0.000 1.136 533 R CA 1.588 57.765 56.100 0.128 0.000 0.959 533 R CB -0.786 29.562 30.300 0.079 0.000 0.856 533 R HN 0.436 nan 8.270 nan 0.000 0.437 534 Q N 0.486 120.335 119.800 0.082 0.000 1.993 534 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 534 Q C 2.102 178.141 176.000 0.066 0.000 0.984 534 Q CA 1.768 57.603 55.803 0.054 0.000 0.837 534 Q CB 0.144 28.899 28.738 0.029 0.000 0.902 534 Q HN 0.515 nan 8.270 nan 0.000 0.423 535 I N -5.170 115.461 120.570 0.102 0.000 4.327 535 I HA 0.427 4.597 4.170 -0.001 0.000 0.331 535 I C 0.722 176.916 176.117 0.129 0.000 1.348 535 I CA 0.160 61.522 61.300 0.104 0.000 1.152 535 I CB 0.626 38.691 38.000 0.109 0.000 1.151 535 I HN 0.169 nan 8.210 nan 0.000 0.410 536 G N 2.855 111.751 108.800 0.159 0.000 2.860 536 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.553 536 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.553 536 G C -0.779 174.195 174.900 0.124 0.000 1.439 536 G CA -0.382 44.794 45.100 0.126 0.000 0.879 536 G HN 0.338 nan 8.290 nan 0.000 0.545 537 I N 0.466 121.054 120.570 0.030 0.000 2.354 537 I HA 0.280 4.450 4.170 -0.001 0.000 0.292 537 I C 0.202 176.389 176.117 0.115 0.000 0.989 537 I CA -0.879 60.437 61.300 0.025 0.000 1.188 537 I CB 1.678 39.576 38.000 -0.169 0.000 1.342 537 I HN 0.566 nan 8.210 nan 0.000 0.457 538 Y N 6.161 126.507 120.300 0.077 0.000 2.677 538 Y HA 0.132 4.681 4.550 -0.002 0.000 0.335 538 Y C 0.334 176.259 175.900 0.040 0.000 1.162 538 Y CA 0.184 58.349 58.100 0.108 0.000 1.483 538 Y CB 0.465 39.081 38.460 0.260 0.000 1.209 538 Y HN 0.501 nan 8.280 nan 0.000 0.528 539 S N 9.191 124.681 115.700 -0.351 0.000 2.479 539 S HA 0.351 4.820 4.470 -0.001 0.000 0.169 539 S C -2.920 171.429 174.600 -0.419 0.000 1.181 539 S CA -1.082 56.887 58.200 -0.385 0.000 1.169 539 S CB 0.353 63.438 63.200 -0.192 0.000 1.384 539 S HN 0.623 nan 8.310 nan 0.000 0.412 559 D N -0.461 119.910 120.400 -0.048 0.000 2.744 559 D HA 0.148 4.787 4.640 -0.001 0.000 0.304 559 D C 0.587 176.841 176.300 -0.077 0.000 1.179 559 D CA -0.656 53.296 54.000 -0.079 0.000 1.024 559 D CB 0.300 41.065 40.800 -0.058 0.000 1.453 559 D HN 0.064 nan 8.370 nan 0.000 0.529 560 E N -0.880 119.236 120.200 -0.140 0.000 2.505 560 E HA 0.042 4.391 4.350 -0.001 0.000 0.197 560 E C 0.874 177.550 176.600 0.127 0.000 1.111 560 E CA 0.600 56.938 56.400 -0.104 0.000 0.887 560 E CB -0.046 29.379 29.700 -0.457 0.000 0.913 560 E HN 0.256 nan 8.360 nan 0.000 0.517 561 K N 0.636 121.078 120.400 0.070 0.000 2.353 561 K HA 0.231 4.550 4.320 -0.001 0.000 0.195 561 K C 0.703 177.353 176.600 0.084 0.000 1.031 561 K CA 0.333 56.649 56.287 0.049 0.000 1.079 561 K CB 0.330 32.836 32.500 0.009 0.000 0.857 561 K HN 0.206 nan 8.250 nan 0.000 0.535 562 G N 0.706 109.602 108.800 0.159 0.000 2.414 562 G HA2 -0.090 3.870 3.960 -0.001 0.000 0.236 562 G HA3 -0.090 3.870 3.960 -0.001 0.000 0.236 562 G C 0.144 175.198 174.900 0.257 0.000 1.293 562 G CA -0.188 45.023 45.100 0.185 0.000 0.869 562 G HN 0.385 nan 8.290 nan 0.000 0.556 563 Q N 1.204 121.135 119.800 0.219 0.000 2.339 563 Q HA 0.153 4.492 4.340 -0.001 0.000 0.205 563 Q C 0.828 177.029 176.000 0.335 0.000 0.925 563 Q CA 0.100 56.062 55.803 0.265 0.000 0.898 563 Q CB 0.068 28.913 28.738 0.179 0.000 1.013 563 Q HN 0.645 nan 8.270 nan 0.000 0.504 564 I N 1.970 122.714 120.570 0.290 0.000 2.395 564 I HA 0.112 4.282 4.170 -0.001 0.000 0.289 564 I C -0.545 175.721 176.117 0.249 0.000 1.023 564 I CA -0.333 61.133 61.300 0.276 0.000 1.350 564 I CB 1.153 39.344 38.000 0.318 0.000 1.409 564 I HN 0.096 nan 8.210 nan 0.000 0.507 565 L N 6.376 127.714 121.223 0.192 0.000 2.255 565 L HA 0.292 4.631 4.340 -0.001 0.000 0.289 565 L C -0.169 176.795 176.870 0.157 0.000 1.046 565 L CA -0.514 54.418 54.840 0.153 0.000 0.816 565 L CB 0.986 43.067 42.059 0.036 0.000 1.197 565 L HN 0.552 nan 8.230 nan 0.000 0.427 566 Q N 2.926 122.812 119.800 0.143 0.000 2.398 566 Q HA 0.140 4.479 4.340 -0.001 0.000 0.251 566 Q C 0.135 176.193 176.000 0.097 0.000 0.999 566 Q CA -0.037 55.836 55.803 0.117 0.000 0.874 566 Q CB 1.036 29.812 28.738 0.063 0.000 1.215 566 Q HN 0.384 nan 8.270 nan 0.000 0.470 567 E N 3.100 123.349 120.200 0.082 0.000 2.479 567 E HA 0.215 4.564 4.350 -0.001 0.000 0.193 567 E C 0.683 177.314 176.600 0.052 0.000 1.049 567 E CA 0.585 57.023 56.400 0.063 0.000 0.870 567 E CB 0.195 29.880 29.700 -0.025 0.000 0.944 567 E HN 0.913 nan 8.360 nan 0.000 0.492 568 G N 1.877 110.711 108.800 0.056 0.000 2.598 568 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.244 568 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.244 568 G C 0.040 174.957 174.900 0.028 0.000 1.302 568 G CA -0.255 44.871 45.100 0.042 0.000 0.903 568 G HN 0.221 nan 8.290 nan 0.000 0.575 569 I N 2.195 122.771 120.570 0.009 0.000 2.270 569 I HA 0.283 4.452 4.170 -0.001 0.000 0.300 569 I C 0.445 176.540 176.117 -0.036 0.000 1.186 569 I CA 0.064 61.353 61.300 -0.018 0.000 1.431 569 I CB -0.175 37.810 38.000 -0.025 0.000 1.485 569 I HN 0.417 nan 8.210 nan 0.000 0.650 570 N N 3.821 122.496 118.700 -0.042 0.000 2.976 570 N HA 0.093 4.833 4.740 -0.001 0.000 0.220 570 N C 0.407 175.851 175.510 -0.111 0.000 1.428 570 N CA -0.156 52.853 53.050 -0.068 0.000 0.748 570 N CB 0.797 39.262 38.487 -0.036 0.000 1.484 570 N HN 0.205 nan 8.380 nan 0.000 0.578 571 E N 1.248 121.387 120.200 -0.101 0.000 2.110 571 E HA -0.031 4.318 4.350 -0.001 0.000 0.193 571 E C 1.640 178.122 176.600 -0.197 0.000 0.988 571 E CA 0.819 57.162 56.400 -0.095 0.000 0.804 571 E CB 0.255 29.903 29.700 -0.086 0.000 0.745 571 E HN 0.580 nan 8.360 nan 0.000 0.458 572 L N -0.045 121.069 121.223 -0.181 0.000 1.994 572 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 572 L C 2.254 178.920 176.870 -0.340 0.000 1.071 572 L CA 1.690 56.411 54.840 -0.198 0.000 0.745 572 L CB -0.712 41.277 42.059 -0.117 0.000 0.892 572 L HN 0.320 nan 8.230 nan 0.000 0.431 573 G N -0.916 107.636 108.800 -0.414 0.000 2.491 573 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.218 573 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.218 573 G C 1.640 175.950 174.900 -0.983 0.000 1.180 573 G CA 0.893 45.411 45.100 -0.969 0.000 0.774 573 G HN 0.571 nan 8.290 nan 0.000 0.562 574 A N 0.870 123.312 122.820 -0.629 0.000 1.883 574 A HA 0.083 4.402 4.320 -0.001 0.000 0.217 574 A C 2.751 179.850 177.584 -0.807 0.000 1.186 574 A CA 2.310 53.910 52.037 -0.727 0.000 0.624 574 A CB -1.210 17.257 19.000 -0.888 0.000 0.822 574 A HN 0.643 nan 8.150 nan 0.000 0.444 575 G N -1.211 107.188 108.800 -0.668 0.000 2.422 575 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.218 575 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.218 575 G C 1.551 176.347 174.900 -0.173 0.000 1.146 575 G CA 1.293 46.163 45.100 -0.385 0.000 0.769 575 G HN 0.534 nan 8.290 nan 0.000 0.547 576 C N 0.352 119.479 119.300 -0.288 0.000 2.435 576 C HA 0.062 4.521 4.460 -0.001 0.000 0.279 576 C C 3.368 178.292 174.990 -0.109 0.000 1.321 576 C CA 1.120 60.042 59.018 -0.161 0.000 1.752 576 C CB -0.732 26.891 27.740 -0.195 0.000 1.959 576 C HN 0.406 nan 8.230 nan 0.000 0.500 577 S N -0.692 114.875 115.700 -0.222 0.000 2.368 577 S HA -0.204 4.265 4.470 -0.001 0.000 0.224 577 S C 1.431 175.935 174.600 -0.160 0.000 1.029 577 S CA 1.338 59.476 58.200 -0.104 0.000 0.988 577 S CB -0.409 62.744 63.200 -0.079 0.000 0.838 577 S HN 0.842 nan 8.310 nan 0.000 0.462 578 W N 2.075 123.188 121.300 -0.311 0.000 2.342 578 W HA -0.131 4.528 4.660 -0.002 0.000 0.297 578 W C 1.791 178.177 176.519 -0.222 0.000 1.213 578 W CA 0.965 58.170 57.345 -0.233 0.000 1.251 578 W CB -0.396 28.960 29.460 -0.175 0.000 1.136 578 W HN 0.261 nan 8.180 nan 0.000 0.526 579 L N 1.675 122.928 121.223 0.050 0.000 2.056 579 L HA -0.006 4.333 4.340 -0.001 0.000 0.207 579 L C 2.476 179.189 176.870 -0.261 0.000 1.078 579 L CA 2.723 57.504 54.840 -0.099 0.000 0.749 579 L CB -1.499 40.629 42.059 0.115 0.000 0.901 579 L HN 0.065 nan 8.230 nan 0.000 0.433 580 A N -0.421 122.232 122.820 -0.278 0.000 1.908 580 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 580 A C 2.437 179.538 177.584 -0.805 0.000 1.181 580 A CA 2.012 53.812 52.037 -0.394 0.000 0.627 580 A CB -1.185 17.596 19.000 -0.365 0.000 0.818 580 A HN 0.582 nan 8.150 nan 0.000 0.445 581 A N -0.379 121.762 122.820 -1.132 0.000 1.897 581 A HA 0.273 4.592 4.320 -0.001 0.000 0.215 581 A C 2.405 179.708 177.584 -0.469 0.000 1.181 581 A CA 1.718 53.136 52.037 -1.031 0.000 0.620 581 A CB -0.907 17.660 19.000 -0.722 0.000 0.821 581 A HN 1.101 nan 8.150 nan 0.000 0.443 582 A N -0.432 122.038 122.820 -0.583 0.000 2.172 582 A HA 0.051 4.371 4.320 -0.001 0.000 0.216 582 A C 1.934 179.458 177.584 -0.101 0.000 1.154 582 A CA 1.978 53.739 52.037 -0.459 0.000 0.701 582 A CB -0.788 17.554 19.000 -1.097 0.000 0.789 582 A HN 0.775 nan 8.150 nan 0.000 0.465 583 T N -4.955 109.493 114.554 -0.177 0.000 3.084 583 T HA 0.184 4.533 4.350 -0.001 0.000 0.270 583 T C 1.458 176.004 174.700 -0.258 0.000 1.008 583 T CA 0.738 62.711 62.100 -0.212 0.000 0.900 583 T CB 0.105 68.888 68.868 -0.142 0.000 1.084 583 T HN 0.164 nan 8.240 nan 0.000 0.538 584 S N 1.572 117.217 115.700 -0.092 0.000 2.399 584 S HA -0.149 4.320 4.470 -0.001 0.000 0.231 584 S C 1.873 176.484 174.600 0.019 0.000 1.022 584 S CA 1.409 59.633 58.200 0.039 0.000 0.983 584 S CB -0.679 62.647 63.200 0.210 0.000 0.803 584 S HN 0.829 nan 8.310 nan 0.000 0.480 585 Y N 0.898 121.255 120.300 0.095 0.000 2.315 585 Y HA 0.040 4.589 4.550 -0.001 0.000 0.288 585 Y C 2.474 178.483 175.900 0.182 0.000 1.154 585 Y CA 1.453 59.635 58.100 0.136 0.000 1.229 585 Y CB -1.043 37.539 38.460 0.202 0.000 0.980 585 Y HN 0.307 nan 8.280 nan 0.000 0.540 586 S N -0.371 114.933 115.700 -0.660 0.000 2.444 586 S HA -0.072 4.398 4.470 -0.001 0.000 0.223 586 S C 1.892 176.397 174.600 -0.159 0.000 1.054 586 S CA 1.050 59.015 58.200 -0.391 0.000 0.947 586 S CB -0.880 61.955 63.200 -0.608 0.000 0.850 586 S HN 0.562 nan 8.310 nan 0.000 0.527 587 T N 2.942 117.400 114.554 -0.160 0.000 2.720 587 T HA -0.011 4.338 4.350 -0.001 0.000 0.268 587 T C 1.098 175.820 174.700 0.037 0.000 1.037 587 T CA 1.522 63.607 62.100 -0.025 0.000 1.144 587 T CB -0.293 68.621 68.868 0.078 0.000 0.864 587 T HN 0.463 nan 8.240 nan 0.000 0.444 588 N N 0.502 119.233 118.700 0.053 0.000 2.177 588 N HA 0.107 4.847 4.740 -0.001 0.000 0.218 588 N C 0.128 175.685 175.510 0.079 0.000 1.182 588 N CA -0.016 53.077 53.050 0.072 0.000 0.882 588 N CB 0.252 38.796 38.487 0.094 0.000 1.052 588 N HN 0.216 nan 8.380 nan 0.000 0.519 589 N N 0.848 119.605 118.700 0.096 0.000 2.721 589 N HA -0.219 4.521 4.740 -0.001 0.000 0.249 589 N C -1.240 174.360 175.510 0.150 0.000 1.072 589 N CA 0.313 53.456 53.050 0.156 0.000 0.710 589 N CB -1.221 37.346 38.487 0.132 0.000 0.993 589 N HN 0.326 nan 8.380 nan 0.000 0.547 590 L N 0.474 121.770 121.223 0.122 0.000 2.492 590 L HA 0.549 4.889 4.340 -0.001 0.000 0.258 590 L C -2.380 174.517 176.870 0.046 0.000 1.028 590 L CA -1.569 53.313 54.840 0.072 0.000 0.900 590 L CB 1.448 43.544 42.059 0.062 0.000 1.191 590 L HN -0.047 nan 8.230 nan 0.000 0.459 591 P HA 0.126 nan 4.420 nan 0.000 0.263 591 P C -1.040 176.155 177.300 -0.175 0.000 1.195 591 P CA 0.158 63.158 63.100 -0.167 0.000 0.762 591 P CB 0.795 32.107 31.700 -0.648 0.000 0.799 592 M N 3.889 123.413 119.600 -0.125 0.000 2.530 592 M HA 0.455 4.935 4.480 -0.001 0.000 0.307 592 M C -0.000 176.126 176.300 -0.289 0.000 1.161 592 M CA -0.793 54.447 55.300 -0.099 0.000 0.903 592 M CB 2.045 34.743 32.600 0.163 0.000 1.711 592 M HN 0.226 nan 8.290 nan 0.000 0.451 593 I N 4.741 125.154 120.570 -0.262 0.000 2.502 593 I HA 0.282 4.451 4.170 -0.001 0.000 0.276 593 I C -2.179 173.848 176.117 -0.149 0.000 1.057 593 I CA -1.540 59.575 61.300 -0.308 0.000 1.163 593 I CB 1.519 39.318 38.000 -0.335 0.000 1.288 593 I HN 0.235 nan 8.210 nan 0.000 0.479 594 P HA 0.287 nan 4.420 nan 0.000 0.282 594 P C -1.041 176.275 177.300 0.026 0.000 1.249 594 P CA -0.183 62.909 63.100 -0.013 0.000 0.806 594 P CB 0.914 32.507 31.700 -0.178 0.000 0.984 595 F N 2.188 122.413 119.950 0.458 0.000 2.610 595 F HA 0.241 4.767 4.527 -0.001 0.000 0.355 595 F C -0.215 175.878 175.800 0.489 0.000 1.140 595 F CA -0.764 57.534 58.000 0.498 0.000 1.037 595 F CB 1.176 40.425 39.000 0.414 0.000 1.287 595 F HN 0.234 nan 8.300 nan 0.000 0.457 596 Y N 5.793 126.357 120.300 0.440 0.000 2.385 596 Y HA 0.612 5.161 4.550 -0.001 0.000 0.341 596 Y C -1.061 174.919 175.900 0.134 0.000 0.965 596 Y CA -2.043 56.212 58.100 0.258 0.000 1.180 596 Y CB 0.707 39.231 38.460 0.107 0.000 1.139 596 Y HN 0.554 nan 8.280 nan 0.000 0.502 597 I N 9.233 129.793 120.570 -0.017 0.000 2.441 597 I HA 0.501 4.670 4.170 -0.001 0.000 0.295 597 I C -1.688 174.091 176.117 -0.563 0.000 0.994 597 I CA -0.718 60.236 61.300 -0.575 0.000 1.144 597 I CB 0.958 38.534 38.000 -0.707 0.000 1.314 597 I HN 0.698 nan 8.210 nan 0.000 0.445 598 Y N 4.259 124.162 120.300 -0.660 0.000 2.725 598 Y HA 0.449 4.998 4.550 -0.001 0.000 0.333 598 Y C -1.875 174.101 175.900 0.126 0.000 1.242 598 Y CA -1.453 56.506 58.100 -0.236 0.000 1.059 598 Y CB 0.199 38.414 38.460 -0.409 0.000 1.306 598 Y HN 0.298 nan 8.280 nan 0.000 0.454 599 Y N 2.073 122.662 120.300 0.481 0.000 2.605 599 Y HA 0.180 4.729 4.550 -0.001 0.000 0.336 599 Y C 1.879 177.887 175.900 0.179 0.000 1.111 599 Y CA -0.118 58.167 58.100 0.309 0.000 1.422 599 Y CB 0.642 39.293 38.460 0.317 0.000 1.193 599 Y HN 0.840 nan 8.280 nan 0.000 0.526 600 S N 2.130 117.908 115.700 0.129 0.000 2.392 600 S HA -0.373 4.097 4.470 -0.001 0.000 0.232 600 S C 1.978 176.655 174.600 0.128 0.000 1.041 600 S CA 1.624 59.895 58.200 0.120 0.000 1.026 600 S CB -0.384 62.859 63.200 0.072 0.000 0.845 600 S HN 0.759 nan 8.310 nan 0.000 0.465 601 M N 1.144 120.676 119.600 -0.114 0.000 2.149 601 M HA 0.108 4.587 4.480 -0.001 0.000 0.261 601 M C 0.582 176.770 176.300 -0.187 0.000 1.064 601 M CA 1.379 56.498 55.300 -0.301 0.000 1.102 601 M CB -0.761 31.464 32.600 -0.625 0.000 1.369 601 M HN 0.328 nan 8.290 nan 0.000 0.408 602 F N -0.284 119.760 119.950 0.157 0.000 2.676 602 F HA 0.390 4.916 4.527 -0.001 0.000 0.300 602 F C 1.600 177.339 175.800 -0.103 0.000 1.160 602 F CA -0.193 57.842 58.000 0.059 0.000 1.401 602 F CB -1.625 37.427 39.000 0.087 0.000 1.037 602 F HN 0.138 nan 8.300 nan 0.000 0.522 603 G N -0.262 108.571 108.800 0.055 0.000 3.226 603 G HA2 0.039 3.998 3.960 -0.001 0.000 0.190 603 G HA3 0.039 3.998 3.960 -0.001 0.000 0.190 603 G C 1.134 175.839 174.900 -0.325 0.000 1.988 603 G CA -0.135 44.772 45.100 -0.321 0.000 0.859 603 G HN 0.120 nan 8.290 nan 0.000 0.631 604 F N 0.917 120.774 119.950 -0.155 0.000 2.154 604 F HA -0.133 4.394 4.527 -0.001 0.000 0.301 604 F C 2.948 178.723 175.800 -0.041 0.000 1.087 604 F CA 1.893 59.821 58.000 -0.120 0.000 1.274 604 F CB -0.346 38.556 39.000 -0.163 0.000 1.009 604 F HN 0.310 nan 8.300 nan 0.000 0.485 605 Q N 0.294 120.187 119.800 0.154 0.000 2.096 605 Q HA -0.263 4.076 4.340 -0.001 0.000 0.204 605 Q C 2.272 178.334 176.000 0.103 0.000 0.982 605 Q CA 1.828 57.716 55.803 0.141 0.000 0.850 605 Q CB -0.039 28.798 28.738 0.165 0.000 0.901 605 Q HN 0.197 nan 8.270 nan 0.000 0.422 606 R N 0.450 120.997 120.500 0.078 0.000 2.156 606 R HA 0.104 4.443 4.340 -0.001 0.000 0.207 606 R C 1.371 177.663 176.300 -0.014 0.000 1.040 606 R CA 1.097 57.229 56.100 0.053 0.000 1.013 606 R CB 0.197 30.553 30.300 0.093 0.000 0.931 606 R HN 0.501 nan 8.270 nan 0.000 0.465 607 I N -3.433 117.093 120.570 -0.073 0.000 3.569 607 I HA 0.519 4.689 4.170 -0.001 0.000 0.334 607 I C 0.949 177.026 176.117 -0.066 0.000 1.570 607 I CA -0.213 61.029 61.300 -0.096 0.000 1.082 607 I CB 0.831 38.723 38.000 -0.181 0.000 1.323 607 I HN 0.042 nan 8.210 nan 0.000 0.489 608 G N 1.383 110.187 108.800 0.008 0.000 2.469 608 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.220 608 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.220 608 G C 1.110 176.094 174.900 0.140 0.000 1.136 608 G CA 1.427 46.592 45.100 0.108 0.000 0.759 608 G HN 0.469 nan 8.290 nan 0.000 0.562 609 D N -0.374 120.079 120.400 0.087 0.000 2.178 609 D HA -0.053 4.586 4.640 -0.001 0.000 0.202 609 D C 2.333 178.739 176.300 0.176 0.000 0.974 609 D CA 0.337 54.407 54.000 0.117 0.000 0.841 609 D CB -0.146 40.691 40.800 0.062 0.000 0.953 609 D HN 0.207 nan 8.370 nan 0.000 0.478 610 L N -0.147 121.141 121.223 0.107 0.000 2.056 610 L HA -0.075 4.264 4.340 -0.001 0.000 0.207 610 L C 2.186 179.143 176.870 0.144 0.000 1.078 610 L CA 1.401 56.303 54.840 0.103 0.000 0.749 610 L CB -0.552 41.515 42.059 0.014 0.000 0.901 610 L HN 0.130 nan 8.230 nan 0.000 0.433 611 C N -1.172 118.199 119.300 0.119 0.000 2.413 611 C HA -0.212 4.247 4.460 -0.001 0.000 0.277 611 C C 2.542 177.781 174.990 0.416 0.000 1.265 611 C CA 0.838 59.974 59.018 0.197 0.000 1.752 611 C CB -1.450 26.413 27.740 0.206 0.000 1.998 611 C HN 0.807 nan 8.230 nan 0.000 0.489 612 W N 1.482 122.898 121.300 0.194 0.000 2.381 612 W HA -0.107 4.553 4.660 -0.001 0.000 0.301 612 W C 2.419 179.049 176.519 0.185 0.000 1.205 612 W CA 1.537 58.990 57.345 0.181 0.000 1.285 612 W CB -0.445 29.087 29.460 0.119 0.000 1.133 612 W HN 0.337 nan 8.180 nan 0.000 0.521 613 A N 0.834 123.874 122.820 0.368 0.000 1.972 613 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 613 A C 2.096 179.803 177.584 0.205 0.000 1.169 613 A CA 2.297 54.489 52.037 0.258 0.000 0.635 613 A CB -1.171 17.983 19.000 0.257 0.000 0.810 613 A HN 0.294 nan 8.150 nan 0.000 0.446 614 A N -0.524 122.437 122.820 0.236 0.000 1.969 614 A HA 0.165 4.485 4.320 -0.001 0.000 0.218 614 A C 2.327 180.088 177.584 0.296 0.000 1.169 614 A CA 1.737 53.925 52.037 0.252 0.000 0.635 614 A CB -1.155 18.001 19.000 0.259 0.000 0.810 614 A HN 0.668 nan 8.150 nan 0.000 0.445 615 G N -0.321 108.656 108.800 0.295 0.000 2.402 615 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.216 615 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.216 615 G C 1.340 176.250 174.900 0.016 0.000 1.162 615 G CA 1.262 46.460 45.100 0.164 0.000 0.777 615 G HN 0.493 nan 8.290 nan 0.000 0.539 616 D N 0.156 120.537 120.400 -0.032 0.000 2.144 616 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 616 D C 2.250 178.603 176.300 0.088 0.000 0.984 616 D CA 0.830 54.834 54.000 0.007 0.000 0.834 616 D CB -0.227 40.614 40.800 0.069 0.000 0.955 616 D HN 0.428 nan 8.370 nan 0.000 0.465 617 Q N -0.475 119.396 119.800 0.118 0.000 2.444 617 Q HA -0.000 4.339 4.340 -0.001 0.000 0.206 617 Q C -0.234 175.830 176.000 0.105 0.000 0.948 617 Q CA 0.068 55.935 55.803 0.106 0.000 0.946 617 Q CB 0.101 28.917 28.738 0.131 0.000 1.027 617 Q HN 0.151 nan 8.270 nan 0.000 0.513 618 Q N -1.528 118.356 119.800 0.139 0.000 2.468 618 Q HA -0.212 4.128 4.340 -0.001 0.000 0.289 618 Q C -0.623 175.527 176.000 0.250 0.000 1.299 618 Q CA 0.942 56.855 55.803 0.184 0.000 0.838 618 Q CB -2.408 26.447 28.738 0.196 0.000 1.195 618 Q HN 0.484 nan 8.270 nan 0.000 0.456 619 A N 1.201 124.153 122.820 0.221 0.000 2.477 619 A HA 0.381 4.700 4.320 -0.001 0.000 0.246 619 A C 0.432 178.115 177.584 0.164 0.000 1.078 619 A CA 0.197 52.301 52.037 0.112 0.000 0.770 619 A CB 0.392 19.350 19.000 -0.070 0.000 1.011 619 A HN 0.319 nan 8.150 nan 0.000 0.494 620 R N 1.879 122.418 120.500 0.064 0.000 2.371 620 R HA 0.568 4.907 4.340 -0.001 0.000 0.312 620 R C 0.155 176.468 176.300 0.022 0.000 0.980 620 R CA 0.139 56.242 56.100 0.006 0.000 0.867 620 R CB 1.829 31.930 30.300 -0.331 0.000 1.163 620 R HN 1.026 nan 8.270 nan 0.000 0.492 621 G N 1.664 110.497 108.800 0.054 0.000 2.489 621 G HA2 0.487 4.446 3.960 -0.001 0.000 0.305 621 G HA3 0.487 4.446 3.960 -0.001 0.000 0.305 621 G C -1.819 173.261 174.900 0.300 0.000 1.311 621 G CA -0.598 44.547 45.100 0.074 0.000 0.813 621 G HN 0.210 nan 8.290 nan 0.000 0.480 622 F N 0.029 120.230 119.950 0.419 0.000 2.482 622 F HA 0.658 5.185 4.527 -0.000 0.000 0.331 622 F C 0.176 176.265 175.800 0.481 0.000 1.115 622 F CA -0.713 57.558 58.000 0.451 0.000 0.955 622 F CB 2.224 41.373 39.000 0.248 0.000 1.136 622 F HN 0.111 nan 8.300 nan 0.000 0.452 623 L N 5.165 126.674 121.223 0.477 0.000 2.298 623 L HA 0.490 4.829 4.340 -0.001 0.000 0.284 623 L C -0.880 176.122 176.870 0.219 0.000 1.013 623 L CA -0.607 54.346 54.840 0.188 0.000 0.824 623 L CB 1.188 43.286 42.059 0.064 0.000 1.221 623 L HN 0.414 nan 8.230 nan 0.000 0.418 624 I N 3.246 123.753 120.570 -0.105 0.000 2.328 624 I HA 0.249 4.419 4.170 -0.001 0.000 0.287 624 I C 0.844 176.508 176.117 -0.756 0.000 1.012 624 I CA -0.251 60.802 61.300 -0.411 0.000 1.195 624 I CB 1.307 38.858 38.000 -0.748 0.000 1.350 624 I HN 0.582 nan 8.210 nan 0.000 0.464 625 G N 5.630 114.107 108.800 -0.539 0.000 2.639 625 G HA2 0.453 4.413 3.960 -0.001 0.000 0.312 625 G HA3 0.453 4.413 3.960 -0.001 0.000 0.312 625 G C 0.542 175.211 174.900 -0.384 0.000 0.911 625 G CA -0.324 44.455 45.100 -0.535 0.000 1.410 625 G HN 0.741 nan 8.290 nan 0.000 0.469 626 G N 1.319 109.844 108.800 -0.457 0.000 2.651 626 G HA2 0.456 4.416 3.960 -0.001 0.000 0.260 626 G HA3 0.456 4.416 3.960 -0.001 0.000 0.260 626 G C 0.958 175.971 174.900 0.190 0.000 1.216 626 G CA 0.470 45.511 45.100 -0.098 0.000 0.913 626 G HN 1.599 nan 8.290 nan 0.000 0.535 627 T N -2.556 112.160 114.554 0.271 0.000 3.558 627 T HA -0.194 4.155 4.350 -0.001 0.000 0.391 627 T C 0.534 175.259 174.700 0.041 0.000 0.766 627 T CA 0.843 63.023 62.100 0.134 0.000 1.951 627 T CB -2.568 66.339 68.868 0.065 0.000 1.743 627 T HN 1.805 nan 8.240 nan 0.000 0.688 628 S N -0.226 115.495 115.700 0.035 0.000 2.730 628 S HA 0.826 5.295 4.470 -0.001 0.000 0.284 628 S C 0.744 175.315 174.600 -0.049 0.000 1.153 628 S CA -0.054 58.156 58.200 0.016 0.000 0.995 628 S CB 1.676 64.932 63.200 0.094 0.000 1.058 628 S HN 2.468 nan 8.310 nan 0.000 0.552 629 G N 0.661 109.345 108.800 -0.192 0.000 2.895 629 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.686 629 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.686 629 G C -0.070 174.609 174.900 -0.368 0.000 1.108 629 G CA -0.048 44.797 45.100 -0.426 0.000 0.761 629 G HN 0.877 nan 8.290 nan 0.000 0.611 630 R N 0.426 120.631 120.500 -0.491 0.000 2.073 630 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 630 R C 3.016 179.159 176.300 -0.262 0.000 1.134 630 R CA 3.205 59.057 56.100 -0.412 0.000 0.952 630 R CB -0.414 29.481 30.300 -0.675 0.000 0.850 630 R HN 1.071 nan 8.270 nan 0.000 0.433 631 T N -3.945 110.475 114.554 -0.224 0.000 3.067 631 T HA 0.053 4.403 4.350 -0.001 0.000 0.257 631 T C 1.531 176.211 174.700 -0.033 0.000 1.105 631 T CA 1.038 63.102 62.100 -0.060 0.000 1.104 631 T CB 0.023 68.874 68.868 -0.027 0.000 0.925 631 T HN 0.146 nan 8.240 nan 0.000 0.498 632 T N 1.924 116.443 114.554 -0.059 0.000 2.942 632 T HA 0.195 4.545 4.350 -0.001 0.000 0.265 632 T C 0.740 175.432 174.700 -0.013 0.000 1.062 632 T CA 0.261 62.355 62.100 -0.010 0.000 1.139 632 T CB -0.232 68.642 68.868 0.010 0.000 0.883 632 T HN 0.254 nan 8.240 nan 0.000 0.468 633 L N 4.417 125.614 121.223 -0.044 0.000 2.719 633 L HA 0.320 4.659 4.340 -0.001 0.000 0.236 633 L C 1.396 178.236 176.870 -0.050 0.000 1.285 633 L CA -0.579 54.226 54.840 -0.059 0.000 1.222 633 L CB -0.655 41.350 42.059 -0.090 0.000 1.493 633 L HN 0.113 nan 8.230 nan 0.000 0.415 634 N N 0.294 118.980 118.700 -0.023 0.000 2.094 634 N HA -0.187 4.552 4.740 -0.001 0.000 0.191 634 N C 1.349 176.852 175.510 -0.013 0.000 1.023 634 N CA 1.536 54.586 53.050 -0.001 0.000 0.857 634 N CB -0.395 38.102 38.487 0.017 0.000 1.013 634 N HN 0.510 nan 8.380 nan 0.000 0.426 635 G N 0.308 109.084 108.800 -0.040 0.000 2.623 635 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.214 635 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.214 635 G C 1.411 176.260 174.900 -0.086 0.000 1.138 635 G CA -0.039 45.030 45.100 -0.052 0.000 0.794 635 G HN 0.212 nan 8.290 nan 0.000 0.535 636 E N 0.591 120.714 120.200 -0.129 0.000 2.208 636 E HA 0.135 4.484 4.350 -0.001 0.000 0.193 636 E C 1.801 178.341 176.600 -0.100 0.000 0.988 636 E CA 0.718 56.981 56.400 -0.229 0.000 0.828 636 E CB -0.200 29.266 29.700 -0.390 0.000 0.763 636 E HN 0.432 nan 8.360 nan 0.000 0.478 637 G N 1.111 109.908 108.800 -0.005 0.000 2.632 637 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.224 637 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.224 637 G C 0.524 175.503 174.900 0.132 0.000 1.341 637 G CA -0.139 44.998 45.100 0.063 0.000 0.880 637 G HN 0.198 nan 8.290 nan 0.000 0.566 638 L N 0.427 121.734 121.223 0.140 0.000 2.010 638 L HA -0.149 4.190 4.340 -0.001 0.000 0.219 638 L C 2.458 179.448 176.870 0.200 0.000 1.077 638 L CA 3.377 58.323 54.840 0.176 0.000 0.773 638 L CB -1.293 40.815 42.059 0.083 0.000 0.892 638 L HN 0.790 nan 8.230 nan 0.000 0.436 639 Q N -2.265 117.653 119.800 0.197 0.000 2.360 639 Q HA -0.048 4.292 4.340 -0.001 0.000 0.202 639 Q C 1.151 177.142 176.000 -0.016 0.000 0.915 639 Q CA 0.214 56.108 55.803 0.153 0.000 0.943 639 Q CB 0.260 29.101 28.738 0.172 0.000 1.064 639 Q HN 0.663 nan 8.270 nan 0.000 0.511 640 H N -0.527 118.526 119.070 -0.030 0.000 2.657 640 H HA 0.164 4.720 4.556 -0.001 0.000 0.262 640 H C -0.174 175.044 175.328 -0.183 0.000 0.965 640 H CA -0.082 55.860 56.048 -0.175 0.000 1.184 640 H CB 0.737 30.419 29.762 -0.134 0.000 1.443 640 H HN 0.052 nan 8.280 nan 0.000 0.462 641 E N 2.156 122.376 120.200 0.034 0.000 2.159 641 E HA 0.015 4.365 4.350 -0.001 0.000 0.272 641 E C -0.679 175.861 176.600 -0.100 0.000 1.138 641 E CA -0.152 56.221 56.400 -0.044 0.000 0.915 641 E CB 0.419 30.111 29.700 -0.012 0.000 1.028 641 E HN 0.238 nan 8.360 nan 0.000 0.423 642 D N 2.721 123.010 120.400 -0.185 0.000 2.411 642 D HA 0.165 4.805 4.640 -0.001 0.000 0.225 642 D C 0.454 176.547 176.300 -0.345 0.000 1.156 642 D CA -0.472 53.361 54.000 -0.279 0.000 0.874 642 D CB 0.676 41.347 40.800 -0.214 0.000 1.034 642 D HN 0.467 nan 8.370 nan 0.000 0.502 643 G N 2.830 111.470 108.800 -0.267 0.000 3.690 643 G HA2 0.017 3.977 3.960 -0.001 0.000 0.283 643 G HA3 0.017 3.977 3.960 -0.001 0.000 0.283 643 G C 0.565 175.549 174.900 0.140 0.000 1.057 643 G CA -0.342 44.578 45.100 -0.301 0.000 0.821 643 G HN 0.710 nan 8.290 nan 0.000 0.526 644 H N -2.056 117.099 119.070 0.141 0.000 3.726 644 H HA 0.059 4.614 4.556 -0.001 0.000 0.262 644 H C 1.649 177.020 175.328 0.073 0.000 1.181 644 H CA 0.669 56.788 56.048 0.118 0.000 1.143 644 H CB -0.476 29.293 29.762 0.012 0.000 1.627 644 H HN 0.228 nan 8.280 nan 0.000 0.750 645 S N 0.701 116.352 115.700 -0.081 0.000 2.419 645 S HA -0.209 4.260 4.470 -0.001 0.000 0.235 645 S C 1.566 176.044 174.600 -0.203 0.000 1.019 645 S CA 1.172 59.334 58.200 -0.064 0.000 0.982 645 S CB -0.828 62.416 63.200 0.073 0.000 0.789 645 S HN 0.483 nan 8.310 nan 0.000 0.490 646 H N 0.838 119.767 119.070 -0.236 0.000 2.491 646 H HA 0.132 4.687 4.556 -0.001 0.000 0.290 646 H C 1.773 176.983 175.328 -0.197 0.000 1.050 646 H CA 1.239 57.079 56.048 -0.347 0.000 1.309 646 H CB -0.016 29.142 29.762 -1.008 0.000 1.392 646 H HN 0.398 nan 8.280 nan 0.000 0.554 647 I N 0.648 121.201 120.570 -0.027 0.000 2.617 647 I HA -0.146 4.023 4.170 -0.001 0.000 0.256 647 I C 2.030 178.121 176.117 -0.044 0.000 1.167 647 I CA 0.872 62.188 61.300 0.028 0.000 1.469 647 I CB -0.657 37.388 38.000 0.075 0.000 1.098 647 I HN 0.240 nan 8.210 nan 0.000 0.436 648 Q N 0.555 120.289 119.800 -0.109 0.000 2.062 648 Q HA -0.109 4.231 4.340 -0.001 0.000 0.196 648 Q C 2.409 178.167 176.000 -0.402 0.000 0.967 648 Q CA 1.872 57.579 55.803 -0.161 0.000 0.832 648 Q CB -0.132 28.567 28.738 -0.064 0.000 0.899 648 Q HN 0.542 nan 8.270 nan 0.000 0.442 649 S N 1.345 116.572 115.700 -0.788 0.000 2.399 649 S HA -0.150 4.320 4.470 -0.001 0.000 0.231 649 S C 1.964 176.306 174.600 -0.430 0.000 1.022 649 S CA 1.223 58.773 58.200 -1.084 0.000 0.983 649 S CB -0.536 61.877 63.200 -1.312 0.000 0.803 649 S HN 0.425 nan 8.310 nan 0.000 0.480 650 L N 1.836 122.931 121.223 -0.214 0.000 2.549 650 L HA 0.177 4.516 4.340 -0.001 0.000 0.229 650 L C 2.137 178.976 176.870 -0.051 0.000 1.158 650 L CA 1.480 56.267 54.840 -0.088 0.000 0.842 650 L CB -1.977 40.084 42.059 0.005 0.000 0.952 650 L HN 0.472 nan 8.230 nan 0.000 0.452 651 T N -2.613 111.917 114.554 -0.040 0.000 3.085 651 T HA 0.209 4.558 4.350 -0.001 0.000 0.263 651 T C 0.836 175.665 174.700 0.216 0.000 1.127 651 T CA 0.175 62.319 62.100 0.074 0.000 1.103 651 T CB -0.648 68.261 68.868 0.069 0.000 0.921 651 T HN 0.327 nan 8.240 nan 0.000 0.510 652 I N 2.682 123.309 120.570 0.096 0.000 2.301 652 I HA 0.259 4.428 4.170 -0.001 0.000 0.292 652 I C -1.600 174.446 176.117 -0.119 0.000 1.046 652 I CA -2.594 58.734 61.300 0.046 0.000 1.282 652 I CB 1.691 39.705 38.000 0.023 0.000 1.409 652 I HN -0.080 nan 8.210 nan 0.000 0.484 653 P HA -0.198 nan 4.420 nan 0.000 0.216 653 P C 0.530 177.716 177.300 -0.190 0.000 1.154 653 P CA 1.451 64.461 63.100 -0.150 0.000 0.865 653 P CB -0.009 31.594 31.700 -0.162 0.000 0.789 654 N N -2.008 116.541 118.700 -0.251 0.000 2.321 654 N HA 0.040 4.780 4.740 -0.001 0.000 0.242 654 N C -0.878 174.364 175.510 -0.446 0.000 1.141 654 N CA -0.381 52.512 53.050 -0.262 0.000 0.864 654 N CB -1.055 37.327 38.487 -0.175 0.000 1.100 654 N HN 0.061 nan 8.380 nan 0.000 0.510 655 C N 1.494 120.485 119.300 -0.515 0.000 2.322 655 C HA 0.609 5.068 4.460 -0.001 0.000 0.324 655 C C -0.626 174.147 174.990 -0.361 0.000 1.284 655 C CA -0.947 57.676 59.018 -0.658 0.000 1.606 655 C CB -0.560 26.816 27.740 -0.607 0.000 2.251 655 C HN 0.333 nan 8.230 nan 0.000 0.502 656 I N 6.218 126.570 120.570 -0.364 0.000 2.312 656 I HA 0.338 4.507 4.170 -0.001 0.000 0.290 656 I C 0.417 176.327 176.117 -0.346 0.000 1.008 656 I CA 0.274 61.304 61.300 -0.449 0.000 1.226 656 I CB 0.974 38.523 38.000 -0.751 0.000 1.371 656 I HN 0.682 nan 8.210 nan 0.000 0.468 657 S N 6.520 122.062 115.700 -0.264 0.000 2.475 657 S HA 0.741 5.210 4.470 -0.001 0.000 0.298 657 S C -0.949 173.535 174.600 -0.194 0.000 1.119 657 S CA -0.477 57.710 58.200 -0.022 0.000 1.085 657 S CB 1.464 64.791 63.200 0.211 0.000 1.028 657 S HN 0.364 nan 8.310 nan 0.000 0.489 658 Y N 0.509 120.902 120.300 0.155 0.000 2.524 658 Y HA 0.427 4.976 4.550 -0.001 0.000 0.347 658 Y C -0.343 175.614 175.900 0.094 0.000 1.005 658 Y CA -0.971 57.193 58.100 0.108 0.000 1.025 658 Y CB 1.780 40.296 38.460 0.094 0.000 1.275 658 Y HN 0.577 nan 8.280 nan 0.000 0.460 659 D N 3.755 124.260 120.400 0.176 0.000 2.607 659 D HA 0.272 4.911 4.640 -0.001 0.000 0.318 659 D C -2.855 173.514 176.300 0.116 0.000 1.212 659 D CA -2.177 51.874 54.000 0.087 0.000 0.861 659 D CB 0.758 41.512 40.800 -0.077 0.000 1.064 659 D HN 0.062 nan 8.370 nan 0.000 0.500 660 P HA 0.137 nan 4.420 nan 0.000 0.271 660 P C 0.137 177.434 177.300 -0.004 0.000 1.218 660 P CA -0.170 62.960 63.100 0.049 0.000 0.780 660 P CB 1.961 33.684 31.700 0.037 0.000 0.901 661 A N 2.216 124.951 122.820 -0.143 0.000 1.973 661 A HA 0.137 4.456 4.320 -0.001 0.000 0.210 661 A C 0.349 177.806 177.584 -0.211 0.000 1.200 661 A CA 0.997 52.863 52.037 -0.284 0.000 0.707 661 A CB -0.445 18.123 19.000 -0.720 0.000 0.862 661 A HN 0.531 nan 8.150 nan 0.000 0.461 662 Y N -2.484 117.771 120.300 -0.076 0.000 2.567 662 Y HA 0.622 5.172 4.550 -0.001 0.000 0.333 662 Y C 1.448 177.207 175.900 -0.235 0.000 1.106 662 Y CA -1.268 56.706 58.100 -0.211 0.000 1.157 662 Y CB 1.153 39.245 38.460 -0.614 0.000 1.277 662 Y HN 0.062 nan 8.280 nan 0.000 0.490 663 A N 0.962 123.806 122.820 0.039 0.000 1.933 663 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 663 A C 1.800 179.406 177.584 0.037 0.000 1.175 663 A CA 2.049 54.101 52.037 0.026 0.000 0.628 663 A CB -1.334 17.691 19.000 0.042 0.000 0.814 663 A HN 0.890 nan 8.150 nan 0.000 0.444 664 Y N -0.290 120.063 120.300 0.089 0.000 2.293 664 Y HA -0.009 4.540 4.550 -0.001 0.000 0.291 664 Y C 1.792 177.711 175.900 0.031 0.000 1.137 664 Y CA 1.138 59.261 58.100 0.039 0.000 1.202 664 Y CB -0.877 37.590 38.460 0.012 0.000 0.990 664 Y HN 0.388 nan 8.280 nan 0.000 0.537 665 E N 0.769 120.897 120.200 -0.120 0.000 2.072 665 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 665 E C 2.420 179.003 176.600 -0.029 0.000 0.985 665 E CA 1.469 57.859 56.400 -0.018 0.000 0.801 665 E CB -0.375 29.288 29.700 -0.061 0.000 0.750 665 E HN 0.417 nan 8.360 nan 0.000 0.452 666 V N 1.086 120.984 119.914 -0.027 0.000 2.343 666 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 666 V C 2.125 178.183 176.094 -0.060 0.000 1.051 666 V CA 2.162 64.454 62.300 -0.013 0.000 1.036 666 V CB -0.334 31.507 31.823 0.031 0.000 0.654 666 V HN 0.290 nan 8.190 nan 0.000 0.451 667 A N -0.431 122.345 122.820 -0.074 0.000 1.898 667 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 667 A C 2.367 179.781 177.584 -0.283 0.000 1.181 667 A CA 2.139 54.040 52.037 -0.227 0.000 0.620 667 A CB -0.868 18.077 19.000 -0.091 0.000 0.819 667 A HN 0.494 nan 8.150 nan 0.000 0.442 668 V N 0.127 119.972 119.914 -0.115 0.000 2.407 668 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 668 V C 2.405 178.462 176.094 -0.062 0.000 1.055 668 V CA 1.992 64.246 62.300 -0.078 0.000 1.049 668 V CB -0.614 31.196 31.823 -0.021 0.000 0.662 668 V HN 0.565 nan 8.190 nan 0.000 0.455 669 I N -0.885 119.622 120.570 -0.105 0.000 2.202 669 I HA -0.280 3.889 4.170 -0.001 0.000 0.242 669 I C 2.465 178.588 176.117 0.010 0.000 1.091 669 I CA 1.777 62.999 61.300 -0.131 0.000 1.368 669 I CB -0.261 37.565 38.000 -0.290 0.000 1.058 669 I HN 0.250 nan 8.210 nan 0.000 0.410 670 M N -0.591 119.002 119.600 -0.011 0.000 2.229 670 M HA -0.225 4.254 4.480 -0.001 0.000 0.264 670 M C 2.458 178.730 176.300 -0.046 0.000 1.063 670 M CA 1.463 56.780 55.300 0.028 0.000 1.114 670 M CB -0.695 31.820 32.600 -0.141 0.000 1.387 670 M HN 0.344 nan 8.290 nan 0.000 0.420 671 H N 0.062 118.958 119.070 -0.290 0.000 2.321 671 H HA -0.184 4.372 4.556 -0.001 0.000 0.300 671 H C 1.463 176.783 175.328 -0.014 0.000 1.087 671 H CA 2.181 58.114 56.048 -0.191 0.000 1.319 671 H CB -0.121 29.483 29.762 -0.263 0.000 1.379 671 H HN 0.317 nan 8.280 nan 0.000 0.501 672 D N -0.326 120.092 120.400 0.030 0.000 2.117 672 D HA -0.074 4.565 4.640 -0.001 0.000 0.197 672 D C 2.426 178.688 176.300 -0.065 0.000 0.987 672 D CA 1.486 55.505 54.000 0.033 0.000 0.829 672 D CB -0.690 40.186 40.800 0.127 0.000 0.961 672 D HN 0.530 nan 8.370 nan 0.000 0.460 673 G N 0.376 109.043 108.800 -0.221 0.000 2.418 673 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.217 673 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.217 673 G C 1.782 176.569 174.900 -0.188 0.000 1.158 673 G CA 0.402 45.072 45.100 -0.716 0.000 0.771 673 G HN 0.333 nan 8.290 nan 0.000 0.545 674 L N 0.042 121.337 121.223 0.120 0.000 2.012 674 L HA -0.109 4.230 4.340 -0.001 0.000 0.210 674 L C 2.876 179.802 176.870 0.092 0.000 1.073 674 L CA 1.993 56.966 54.840 0.222 0.000 0.748 674 L CB -0.277 41.884 42.059 0.169 0.000 0.891 674 L HN 0.431 nan 8.230 nan 0.000 0.431 675 E N -0.139 120.022 120.200 -0.064 0.000 2.072 675 E HA -0.240 4.109 4.350 -0.001 0.000 0.191 675 E C 2.289 178.881 176.600 -0.013 0.000 0.985 675 E CA 1.030 57.395 56.400 -0.057 0.000 0.801 675 E CB 0.078 29.688 29.700 -0.150 0.000 0.750 675 E HN 0.355 nan 8.360 nan 0.000 0.452 676 R N -0.344 120.140 120.500 -0.026 0.000 2.073 676 R HA -0.085 4.254 4.340 -0.001 0.000 0.234 676 R C 2.479 178.734 176.300 -0.073 0.000 1.134 676 R CA 2.039 58.128 56.100 -0.018 0.000 0.952 676 R CB -0.178 30.146 30.300 0.041 0.000 0.850 676 R HN 0.320 nan 8.270 nan 0.000 0.433 677 M N -1.593 117.929 119.600 -0.129 0.000 2.287 677 M HA -0.036 4.443 4.480 -0.001 0.000 0.266 677 M C 0.842 176.816 176.300 -0.543 0.000 1.079 677 M CA 1.429 56.518 55.300 -0.352 0.000 1.146 677 M CB 0.247 32.590 32.600 -0.428 0.000 1.374 677 M HN 0.094 nan 8.290 nan 0.000 0.435 678 Y N -0.114 120.220 120.300 0.057 0.000 2.481 678 Y HA 0.397 4.946 4.550 -0.000 0.000 0.247 678 Y C 1.385 177.429 175.900 0.240 0.000 1.151 678 Y CA -0.677 57.525 58.100 0.170 0.000 1.238 678 Y CB -0.082 38.403 38.460 0.041 0.000 1.179 678 Y HN 0.048 nan 8.280 nan 0.000 0.524 679 G N -0.172 108.740 108.800 0.187 0.000 2.525 679 G HA2 0.096 4.055 3.960 -0.001 0.000 0.287 679 G HA3 0.096 4.055 3.960 -0.001 0.000 0.287 679 G C 0.774 175.711 174.900 0.062 0.000 1.350 679 G CA -0.330 44.847 45.100 0.130 0.000 1.039 679 G HN 0.162 nan 8.290 nan 0.000 0.513 680 E N -0.373 119.839 120.200 0.019 0.000 2.171 680 E HA -0.195 4.154 4.350 -0.001 0.000 0.197 680 E C 2.121 178.672 176.600 -0.082 0.000 0.997 680 E CA 1.031 57.405 56.400 -0.043 0.000 0.810 680 E CB -0.055 29.632 29.700 -0.022 0.000 0.738 680 E HN 0.549 nan 8.360 nan 0.000 0.467 681 K N 0.892 121.258 120.400 -0.056 0.000 2.103 681 K HA -0.184 4.136 4.320 -0.001 0.000 0.207 681 K C 0.545 177.081 176.600 -0.108 0.000 1.048 681 K CA 0.923 57.170 56.287 -0.066 0.000 0.930 681 K CB 0.049 32.523 32.500 -0.042 0.000 0.716 681 K HN 0.052 nan 8.250 nan 0.000 0.444 682 Q N 0.975 120.692 119.800 -0.138 0.000 2.435 682 Q HA -0.211 4.129 4.340 -0.001 0.000 0.312 682 Q C -0.853 175.035 176.000 -0.187 0.000 1.333 682 Q CA 0.690 56.367 55.803 -0.211 0.000 0.883 682 Q CB -1.463 27.099 28.738 -0.293 0.000 1.170 682 Q HN 0.472 nan 8.270 nan 0.000 0.443 683 E N 0.964 121.076 120.200 -0.146 0.000 2.376 683 E HA 0.026 4.375 4.350 -0.001 0.000 0.266 683 E C -0.154 176.374 176.600 -0.121 0.000 1.009 683 E CA -0.299 56.040 56.400 -0.102 0.000 0.902 683 E CB 0.576 30.244 29.700 -0.054 0.000 0.972 683 E HN 0.145 nan 8.360 nan 0.000 0.439 684 N N 4.395 123.050 118.700 -0.075 0.000 2.807 684 N HA 0.140 4.879 4.740 -0.001 0.000 0.259 684 N C -1.095 174.409 175.510 -0.009 0.000 1.149 684 N CA 0.062 53.089 53.050 -0.039 0.000 1.042 684 N CB 0.951 39.444 38.487 0.010 0.000 1.367 684 N HN 0.220 nan 8.380 nan 0.000 0.516 685 V N 2.543 122.461 119.914 0.007 0.000 3.147 685 V HA 0.583 4.702 4.120 -0.001 0.000 0.306 685 V C -1.702 174.495 176.094 0.171 0.000 1.209 685 V CA -0.841 61.476 62.300 0.028 0.000 1.023 685 V CB 2.142 33.969 31.823 0.005 0.000 1.059 685 V HN 0.471 nan 8.190 nan 0.000 0.435 686 Y N 2.801 123.182 120.300 0.135 0.000 2.602 686 Y HA 0.850 5.399 4.550 -0.001 0.000 0.342 686 Y C -1.631 174.421 175.900 0.252 0.000 1.029 686 Y CA -1.543 56.695 58.100 0.230 0.000 1.080 686 Y CB 1.253 39.952 38.460 0.397 0.000 1.284 686 Y HN 0.522 nan 8.280 nan 0.000 0.485 687 Y N 1.417 121.873 120.300 0.260 0.000 2.420 687 Y HA 0.467 5.016 4.550 -0.001 0.000 0.334 687 Y C -1.127 175.049 175.900 0.461 0.000 1.094 687 Y CA -1.314 56.909 58.100 0.205 0.000 1.126 687 Y CB 1.630 40.011 38.460 -0.132 0.000 1.217 687 Y HN 0.687 nan 8.280 nan 0.000 0.462 688 Y N 4.284 124.775 120.300 0.320 0.000 2.329 688 Y HA 0.660 5.209 4.550 -0.001 0.000 0.328 688 Y C -1.586 174.483 175.900 0.281 0.000 0.992 688 Y CA -1.855 56.425 58.100 0.300 0.000 1.151 688 Y CB 0.605 39.220 38.460 0.260 0.000 1.150 688 Y HN 0.482 nan 8.280 nan 0.000 0.450 689 I N 5.948 126.435 120.570 -0.139 0.000 2.466 689 I HA 0.346 4.515 4.170 -0.001 0.000 0.289 689 I C -0.410 175.448 176.117 -0.432 0.000 1.026 689 I CA -0.944 60.271 61.300 -0.141 0.000 1.078 689 I CB 2.321 40.398 38.000 0.127 0.000 1.249 689 I HN 0.636 nan 8.210 nan 0.000 0.429 690 T N 1.394 115.733 114.554 -0.360 0.000 2.806 690 T HA 0.603 4.952 4.350 -0.001 0.000 0.290 690 T C 0.086 174.737 174.700 -0.083 0.000 0.966 690 T CA -0.612 61.339 62.100 -0.248 0.000 1.060 690 T CB 1.290 70.146 68.868 -0.019 0.000 0.927 690 T HN 0.698 nan 8.240 nan 0.000 0.485 691 T N 0.998 115.492 114.554 -0.099 0.000 2.926 691 T HA 0.760 5.110 4.350 -0.001 0.000 0.289 691 T C -0.400 174.312 174.700 0.020 0.000 1.054 691 T CA -1.111 60.968 62.100 -0.035 0.000 1.015 691 T CB 1.010 69.833 68.868 -0.075 0.000 1.167 691 T HN 0.575 nan 8.240 nan 0.000 0.526 692 L N 1.739 122.989 121.223 0.044 0.000 2.322 692 L HA 0.548 4.887 4.340 -0.001 0.000 0.269 692 L C 0.927 177.833 176.870 0.060 0.000 1.012 692 L CA -1.157 53.719 54.840 0.061 0.000 0.815 692 L CB 1.424 43.530 42.059 0.078 0.000 1.295 692 L HN 0.892 nan 8.230 nan 0.000 0.438 693 N N -0.467 118.270 118.700 0.062 0.000 2.203 693 N HA 0.004 4.744 4.740 -0.001 0.000 0.207 693 N C -0.139 175.388 175.510 0.028 0.000 1.130 693 N CA -0.189 52.893 53.050 0.054 0.000 0.861 693 N CB 0.420 38.936 38.487 0.048 0.000 1.005 693 N HN 0.699 nan 8.380 nan 0.000 0.507 694 E N 0.826 121.043 120.200 0.028 0.000 2.156 694 E HA 0.213 4.563 4.350 -0.001 0.000 0.279 694 E C -0.960 175.586 176.600 -0.089 0.000 0.965 694 E CA -0.655 55.771 56.400 0.044 0.000 0.789 694 E CB 0.617 30.418 29.700 0.168 0.000 1.098 694 E HN 0.082 nan 8.360 nan 0.000 0.397 695 N N 3.258 121.928 118.700 -0.049 0.000 2.518 695 N HA 0.275 5.014 4.740 -0.001 0.000 0.283 695 N C -1.079 174.428 175.510 -0.006 0.000 1.119 695 N CA 0.032 53.007 53.050 -0.124 0.000 0.983 695 N CB 0.807 39.278 38.487 -0.026 0.000 1.139 695 N HN 0.420 nan 8.380 nan 0.000 0.465 696 Y N -2.712 117.647 120.300 0.098 0.000 2.764 696 Y HA 0.315 4.865 4.550 -0.001 0.000 0.331 696 Y C -0.259 175.730 175.900 0.147 0.000 1.280 696 Y CA -1.223 56.950 58.100 0.121 0.000 1.065 696 Y CB 0.530 39.065 38.460 0.125 0.000 1.319 696 Y HN 0.448 nan 8.280 nan 0.000 0.453 697 H N 3.232 122.509 119.070 0.345 0.000 3.004 697 H HA 0.223 4.778 4.556 -0.001 0.000 0.316 697 H C -0.916 174.567 175.328 0.258 0.000 1.014 697 H CA 0.232 56.408 56.048 0.214 0.000 1.454 697 H CB 0.677 30.517 29.762 0.130 0.000 1.472 697 H HN 0.515 nan 8.280 nan 0.000 0.571 698 M N 8.705 128.093 119.600 -0.352 0.000 2.047 698 M HA 0.254 4.734 4.480 -0.001 0.000 0.342 698 M C -2.413 173.540 176.300 -0.578 0.000 1.058 698 M CA -2.299 52.816 55.300 -0.308 0.000 0.991 698 M CB 1.114 33.660 32.600 -0.091 0.000 1.474 698 M HN 0.516 nan 8.290 nan 0.000 0.419 699 P HA 0.395 nan 4.420 nan 0.000 0.282 699 P C -0.696 176.556 177.300 -0.080 0.000 1.287 699 P CA -0.539 62.362 63.100 -0.332 0.000 0.792 699 P CB 0.797 32.355 31.700 -0.236 0.000 1.163 700 A N 0.910 123.681 122.820 -0.082 0.000 2.371 700 A HA 0.355 4.674 4.320 -0.001 0.000 0.257 700 A C 0.649 177.969 177.584 -0.441 0.000 1.089 700 A CA -0.537 51.416 52.037 -0.139 0.000 0.794 700 A CB -0.411 18.523 19.000 -0.110 0.000 1.029 700 A HN 0.692 nan 8.150 nan 0.000 0.488 701 M N 2.809 121.940 119.600 -0.782 0.000 2.238 701 M HA 0.279 4.758 4.480 -0.001 0.000 0.350 701 M C -2.244 173.683 176.300 -0.622 0.000 1.321 701 M CA -1.223 53.222 55.300 -1.425 0.000 1.097 701 M CB 0.301 32.301 32.600 -1.001 0.000 1.713 701 M HN 0.338 nan 8.290 nan 0.000 0.455 702 P HA 0.037 nan 4.420 nan 0.000 0.271 702 P C -1.339 175.847 177.300 -0.189 0.000 1.218 702 P CA -0.127 62.850 63.100 -0.205 0.000 0.780 702 P CB 0.434 32.094 31.700 -0.067 0.000 0.901 703 E N 1.309 121.439 120.200 -0.116 0.000 2.417 703 E HA 0.218 4.567 4.350 -0.001 0.000 0.261 703 E C 1.006 177.561 176.600 -0.075 0.000 1.000 703 E CA 0.763 57.108 56.400 -0.092 0.000 0.919 703 E CB -0.494 29.171 29.700 -0.059 0.000 0.955 703 E HN 0.733 nan 8.360 nan 0.000 0.455 704 G N 2.979 111.732 108.800 -0.077 0.000 2.162 704 G HA2 -0.361 3.598 3.960 -0.001 0.000 0.260 704 G HA3 -0.361 3.598 3.960 -0.001 0.000 0.260 704 G C 0.752 175.615 174.900 -0.061 0.000 0.976 704 G CA 0.454 45.522 45.100 -0.053 0.000 0.655 704 G HN 0.740 nan 8.290 nan 0.000 0.533 705 A N -0.251 122.490 122.820 -0.132 0.000 2.208 705 A HA 0.449 4.768 4.320 -0.001 0.000 0.209 705 A C 1.828 179.293 177.584 -0.199 0.000 1.161 705 A CA 1.666 53.575 52.037 -0.213 0.000 0.782 705 A CB -0.192 18.522 19.000 -0.476 0.000 0.816 705 A HN 0.558 nan 8.150 nan 0.000 0.477 706 E N 0.317 120.442 120.200 -0.125 0.000 2.065 706 E HA -0.265 4.085 4.350 -0.001 0.000 0.201 706 E C 1.856 178.435 176.600 -0.034 0.000 1.016 706 E CA 1.723 58.076 56.400 -0.078 0.000 0.818 706 E CB -0.232 29.433 29.700 -0.059 0.000 0.749 706 E HN 0.654 nan 8.360 nan 0.000 0.453 707 E N 0.088 120.281 120.200 -0.012 0.000 2.118 707 E HA -0.116 4.234 4.350 -0.001 0.000 0.195 707 E C 2.075 178.689 176.600 0.022 0.000 0.992 707 E CA 1.529 57.930 56.400 0.002 0.000 0.804 707 E CB -0.658 29.049 29.700 0.012 0.000 0.741 707 E HN 0.289 nan 8.360 nan 0.000 0.458 708 G N 0.366 109.223 108.800 0.096 0.000 2.408 708 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 708 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 708 G C 1.672 176.713 174.900 0.235 0.000 1.150 708 G CA 0.792 46.041 45.100 0.249 0.000 0.776 708 G HN 0.313 nan 8.290 nan 0.000 0.542 709 I N 0.199 120.829 120.570 0.101 0.000 2.226 709 I HA -0.178 3.991 4.170 -0.001 0.000 0.245 709 I C 3.044 179.256 176.117 0.159 0.000 1.100 709 I CA 1.030 62.415 61.300 0.141 0.000 1.374 709 I CB -0.152 37.853 38.000 0.009 0.000 1.057 709 I HN 0.102 nan 8.210 nan 0.000 0.413 710 R N 0.543 121.102 120.500 0.097 0.000 2.075 710 R HA -0.143 4.196 4.340 -0.001 0.000 0.232 710 R C 2.227 178.637 176.300 0.184 0.000 1.126 710 R CA 1.078 57.261 56.100 0.140 0.000 0.963 710 R CB -0.224 30.123 30.300 0.079 0.000 0.858 710 R HN 0.079 nan 8.270 nan 0.000 0.435 711 K N -1.024 119.390 120.400 0.023 0.000 2.211 711 K HA 0.000 4.319 4.320 -0.001 0.000 0.203 711 K C 1.204 177.808 176.600 0.006 0.000 1.050 711 K CA 1.368 57.577 56.287 -0.130 0.000 0.945 711 K CB 0.124 32.257 32.500 -0.611 0.000 0.732 711 K HN 0.445 nan 8.250 nan 0.000 0.451 712 G N -0.501 108.386 108.800 0.144 0.000 2.296 712 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.188 712 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.188 712 G C 0.011 174.956 174.900 0.075 0.000 1.000 712 G CA -0.120 45.038 45.100 0.096 0.000 0.672 712 G HN 0.221 nan 8.290 nan 0.000 0.483 713 I N 0.157 120.859 120.570 0.219 0.000 2.828 713 I HA 0.639 4.808 4.170 -0.001 0.000 0.295 713 I C -1.682 174.662 176.117 0.378 0.000 1.459 713 I CA -1.483 59.920 61.300 0.172 0.000 1.015 713 I CB 1.926 39.922 38.000 -0.007 0.000 1.345 713 I HN 0.472 nan 8.210 nan 0.000 0.449 714 Y N 3.936 124.360 120.300 0.207 0.000 2.592 714 Y HA 0.461 5.010 4.550 -0.001 0.000 0.334 714 Y C -1.556 174.486 175.900 0.236 0.000 1.136 714 Y CA -1.326 56.907 58.100 0.222 0.000 1.042 714 Y CB 0.853 39.425 38.460 0.186 0.000 1.325 714 Y HN 0.489 nan 8.280 nan 0.000 0.457 715 K N 3.346 123.852 120.400 0.176 0.000 2.316 715 K HA 0.321 4.640 4.320 -0.001 0.000 0.289 715 K C -0.019 176.543 176.600 -0.062 0.000 1.070 715 K CA -0.257 55.929 56.287 -0.168 0.000 0.928 715 K CB 0.609 32.972 32.500 -0.228 0.000 1.039 715 K HN 1.030 nan 8.250 nan 0.000 0.480 716 L N 3.146 124.268 121.223 -0.168 0.000 2.095 716 L HA -0.065 4.275 4.340 -0.001 0.000 0.204 716 L C 0.666 177.538 176.870 0.002 0.000 1.080 716 L CA 1.223 56.075 54.840 0.021 0.000 0.759 716 L CB 0.059 42.135 42.059 0.028 0.000 0.914 716 L HN 0.776 nan 8.230 nan 0.000 0.439 717 E N -2.253 117.891 120.200 -0.092 0.000 2.416 717 E HA 0.280 4.629 4.350 -0.001 0.000 0.280 717 E C -1.343 175.192 176.600 -0.109 0.000 1.055 717 E CA -0.783 55.578 56.400 -0.065 0.000 0.825 717 E CB 1.597 31.286 29.700 -0.018 0.000 1.312 717 E HN -0.300 nan 8.360 nan 0.000 0.452 718 T N 1.816 116.331 114.554 -0.066 0.000 2.809 718 T HA 0.502 4.851 4.350 -0.001 0.000 0.284 718 T C -0.324 174.361 174.700 -0.025 0.000 0.992 718 T CA -0.475 61.590 62.100 -0.059 0.000 0.957 718 T CB 0.412 69.252 68.868 -0.047 0.000 0.942 718 T HN 0.321 nan 8.240 nan 0.000 0.439 719 I N 2.380 122.941 120.570 -0.015 0.000 2.412 719 I HA 0.404 4.573 4.170 -0.001 0.000 0.296 719 I C 0.608 176.731 176.117 0.010 0.000 0.987 719 I CA -0.897 60.405 61.300 0.003 0.000 1.180 719 I CB 1.748 39.755 38.000 0.011 0.000 1.340 719 I HN 0.556 nan 8.210 nan 0.000 0.455 720 E N 3.586 123.794 120.200 0.013 0.000 2.345 720 E HA 0.653 5.002 4.350 -0.001 0.000 0.259 720 E C -0.511 176.104 176.600 0.025 0.000 1.117 720 E CA -0.473 55.937 56.400 0.017 0.000 0.913 720 E CB 1.607 31.315 29.700 0.014 0.000 1.057 720 E HN 0.836 nan 8.360 nan 0.000 0.432 721 G N 0.012 108.829 108.800 0.028 0.000 2.596 721 G HA2 0.192 4.152 3.960 -0.001 0.000 0.296 721 G HA3 0.192 4.152 3.960 -0.001 0.000 0.296 721 G C -0.323 174.597 174.900 0.033 0.000 1.513 721 G CA 0.027 45.149 45.100 0.036 0.000 0.851 721 G HN 0.446 nan 8.290 nan 0.000 0.548 722 S N -0.219 115.501 115.700 0.033 0.000 2.559 722 S HA 0.197 4.666 4.470 -0.001 0.000 0.226 722 S C 1.173 175.793 174.600 0.033 0.000 1.000 722 S CA -0.075 58.142 58.200 0.028 0.000 0.948 722 S CB 0.356 63.569 63.200 0.022 0.000 0.870 722 S HN 0.313 nan 8.310 nan 0.000 0.497 723 K N 1.495 121.921 120.400 0.043 0.000 2.361 723 K HA 0.446 4.766 4.320 -0.001 0.000 0.194 723 K C 0.962 177.590 176.600 0.046 0.000 1.032 723 K CA 0.619 56.935 56.287 0.048 0.000 1.048 723 K CB 0.580 33.119 32.500 0.065 0.000 0.842 723 K HN 0.528 nan 8.250 nan 0.000 0.526 724 G N 0.094 108.921 108.800 0.045 0.000 2.356 724 G HA2 0.334 4.294 3.960 -0.001 0.000 0.294 724 G HA3 0.334 4.294 3.960 -0.001 0.000 0.294 724 G C -1.810 173.114 174.900 0.039 0.000 1.423 724 G CA -0.591 44.532 45.100 0.039 0.000 0.806 724 G HN -0.148 nan 8.290 nan 0.000 0.527 725 K N -0.077 120.344 120.400 0.036 0.000 2.535 725 K HA 0.692 5.011 4.320 -0.001 0.000 0.251 725 K C -0.555 176.071 176.600 0.043 0.000 0.942 725 K CA -0.457 55.853 56.287 0.039 0.000 0.798 725 K CB 1.625 34.147 32.500 0.036 0.000 1.267 725 K HN 1.403 nan 8.250 nan 0.000 0.434 726 V N -0.191 119.753 119.914 0.051 0.000 3.158 726 V HA 0.654 4.773 4.120 -0.001 0.000 0.311 726 V C -1.015 175.135 176.094 0.093 0.000 1.181 726 V CA -0.921 61.416 62.300 0.063 0.000 1.054 726 V CB 2.161 34.013 31.823 0.049 0.000 1.085 726 V HN 0.687 nan 8.190 nan 0.000 0.446 727 Q N 1.085 120.961 119.800 0.127 0.000 2.340 727 Q HA 0.737 5.076 4.340 -0.001 0.000 0.268 727 Q C -1.595 174.524 176.000 0.197 0.000 1.031 727 Q CA -0.528 55.403 55.803 0.215 0.000 0.804 727 Q CB 2.539 31.434 28.738 0.261 0.000 1.286 727 Q HN 0.713 nan 8.270 nan 0.000 0.448 728 L N 3.564 124.916 121.223 0.216 0.000 2.356 728 L HA 0.551 4.891 4.340 -0.001 0.000 0.277 728 L C -1.221 175.785 176.870 0.227 0.000 0.996 728 L CA -0.865 54.075 54.840 0.167 0.000 0.822 728 L CB 1.142 43.260 42.059 0.098 0.000 1.256 728 L HN 0.333 nan 8.230 nan 0.000 0.413 729 L N 2.538 123.882 121.223 0.202 0.000 2.346 729 L HA 0.940 5.279 4.340 -0.001 0.000 0.276 729 L C 0.314 177.291 176.870 0.178 0.000 1.006 729 L CA -0.147 54.818 54.840 0.208 0.000 0.817 729 L CB 1.990 44.200 42.059 0.251 0.000 1.272 729 L HN 0.623 nan 8.230 nan 0.000 0.421 730 G N 0.136 109.012 108.800 0.126 0.000 2.690 730 G HA2 0.746 4.705 3.960 -0.001 0.000 0.293 730 G HA3 0.746 4.705 3.960 -0.001 0.000 0.293 730 G C -1.529 173.419 174.900 0.081 0.000 1.399 730 G CA -0.233 44.941 45.100 0.123 0.000 0.890 730 G HN 0.698 nan 8.290 nan 0.000 0.485 731 S N -0.875 114.906 115.700 0.135 0.000 2.638 731 S HA 0.881 5.351 4.470 -0.001 0.000 0.274 731 S C 0.779 175.449 174.600 0.115 0.000 1.157 731 S CA 0.639 58.902 58.200 0.104 0.000 0.826 731 S CB 1.345 64.668 63.200 0.205 0.000 1.139 731 S HN 2.714 nan 8.310 nan 0.000 0.474 732 G N 2.046 110.898 108.800 0.087 0.000 2.594 732 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.297 732 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.297 732 G C 1.078 176.029 174.900 0.085 0.000 1.273 732 G CA 1.519 46.689 45.100 0.116 0.000 0.974 732 G HN 2.220 nan 8.290 nan 0.000 0.552 733 S N -0.503 115.280 115.700 0.139 0.000 2.481 733 S HA 0.089 4.558 4.470 -0.001 0.000 0.231 733 S C 2.124 176.788 174.600 0.107 0.000 0.996 733 S CA 1.554 59.845 58.200 0.153 0.000 0.942 733 S CB 0.048 63.368 63.200 0.199 0.000 0.768 733 S HN 0.579 nan 8.310 nan 0.000 0.520 734 I N 1.112 121.740 120.570 0.097 0.000 3.251 734 I HA 0.148 4.317 4.170 -0.001 0.000 0.277 734 I C 2.030 178.220 176.117 0.122 0.000 1.268 734 I CA 0.258 61.638 61.300 0.134 0.000 1.449 734 I CB -1.119 36.917 38.000 0.060 0.000 1.083 734 I HN 0.334 nan 8.210 nan 0.000 0.464 735 L N 1.599 122.831 121.223 0.016 0.000 2.042 735 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 735 L C 2.700 179.536 176.870 -0.056 0.000 1.076 735 L CA 1.829 56.646 54.840 -0.039 0.000 0.749 735 L CB -0.728 41.234 42.059 -0.161 0.000 0.893 735 L HN 0.118 nan 8.230 nan 0.000 0.432 736 R N -1.617 118.788 120.500 -0.157 0.000 2.103 736 R HA -0.244 4.096 4.340 -0.001 0.000 0.242 736 R C 2.236 178.384 176.300 -0.252 0.000 1.142 736 R CA 2.146 58.095 56.100 -0.252 0.000 0.960 736 R CB -0.347 29.651 30.300 -0.503 0.000 0.858 736 R HN 0.567 nan 8.270 nan 0.000 0.439 737 H N -0.926 118.108 119.070 -0.060 0.000 2.395 737 H HA -0.074 4.482 4.556 -0.001 0.000 0.299 737 H C 1.982 177.305 175.328 -0.010 0.000 1.070 737 H CA 1.541 57.575 56.048 -0.022 0.000 1.356 737 H CB -0.076 29.681 29.762 -0.008 0.000 1.401 737 H HN 0.220 nan 8.280 nan 0.000 0.524 738 V N -0.531 119.439 119.914 0.095 0.000 2.626 738 V HA -0.132 3.988 4.120 -0.001 0.000 0.252 738 V C 1.980 178.096 176.094 0.037 0.000 1.067 738 V CA 1.417 63.756 62.300 0.064 0.000 1.081 738 V CB -0.247 31.616 31.823 0.067 0.000 0.686 738 V HN 0.231 nan 8.190 nan 0.000 0.468 739 R N 0.343 120.854 120.500 0.019 0.000 2.115 739 R HA -0.041 4.299 4.340 -0.001 0.000 0.226 739 R C 2.455 178.761 176.300 0.009 0.000 1.100 739 R CA 1.399 57.510 56.100 0.018 0.000 0.980 739 R CB -0.282 30.034 30.300 0.028 0.000 0.875 739 R HN 0.746 nan 8.270 nan 0.000 0.445 740 E N 0.928 121.120 120.200 -0.013 0.000 2.106 740 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 740 E C 1.798 178.406 176.600 0.014 0.000 0.984 740 E CA 1.029 57.423 56.400 -0.010 0.000 0.806 740 E CB 0.045 29.722 29.700 -0.038 0.000 0.750 740 E HN 0.325 nan 8.360 nan 0.000 0.458 741 A N 1.171 124.000 122.820 0.015 0.000 1.969 741 A HA -0.016 4.303 4.320 -0.001 0.000 0.218 741 A C 2.355 179.962 177.584 0.039 0.000 1.169 741 A CA 1.478 53.523 52.037 0.015 0.000 0.635 741 A CB -0.558 18.444 19.000 0.003 0.000 0.810 741 A HN 0.399 nan 8.150 nan 0.000 0.445 742 A N 0.037 122.879 122.820 0.036 0.000 1.877 742 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 742 A C 1.982 179.597 177.584 0.052 0.000 1.186 742 A CA 2.164 54.226 52.037 0.041 0.000 0.620 742 A CB -0.507 18.511 19.000 0.030 0.000 0.822 742 A HN 0.542 nan 8.150 nan 0.000 0.443 743 E N 0.338 120.566 120.200 0.046 0.000 2.051 743 E HA -0.154 4.195 4.350 -0.001 0.000 0.192 743 E C 1.697 178.343 176.600 0.077 0.000 0.991 743 E CA 1.612 58.042 56.400 0.050 0.000 0.799 743 E CB -0.439 29.283 29.700 0.036 0.000 0.748 743 E HN 0.628 nan 8.360 nan 0.000 0.449 744 I N 0.166 120.794 120.570 0.097 0.000 2.163 744 I HA -0.287 3.882 4.170 -0.001 0.000 0.243 744 I C 2.405 178.667 176.117 0.242 0.000 1.085 744 I CA 1.026 62.423 61.300 0.161 0.000 1.347 744 I CB -0.314 37.797 38.000 0.185 0.000 1.044 744 I HN 0.162 nan 8.210 nan 0.000 0.408 745 L N 0.401 121.754 121.223 0.216 0.000 2.081 745 L HA -0.267 4.072 4.340 -0.001 0.000 0.212 745 L C 2.728 179.734 176.870 0.227 0.000 1.080 745 L CA 1.515 56.505 54.840 0.249 0.000 0.754 745 L CB -0.637 41.489 42.059 0.112 0.000 0.893 745 L HN 0.299 nan 8.230 nan 0.000 0.433 746 A N -0.459 122.444 122.820 0.139 0.000 1.874 746 A HA -0.180 4.139 4.320 -0.001 0.000 0.214 746 A C 2.386 180.016 177.584 0.078 0.000 1.189 746 A CA 1.450 53.544 52.037 0.096 0.000 0.615 746 A CB -0.326 18.712 19.000 0.063 0.000 0.830 746 A HN 0.271 nan 8.150 nan 0.000 0.443 747 K N -0.617 119.824 120.400 0.069 0.000 2.057 747 K HA -0.163 4.156 4.320 -0.001 0.000 0.206 747 K C 0.730 177.323 176.600 -0.012 0.000 1.050 747 K CA 1.757 58.062 56.287 0.030 0.000 0.935 747 K CB -0.090 32.428 32.500 0.031 0.000 0.715 747 K HN 0.347 nan 8.250 nan 0.000 0.439 748 D N -1.314 119.072 120.400 -0.023 0.000 2.366 748 D HA -0.009 4.630 4.640 -0.001 0.000 0.205 748 D C 0.492 176.488 176.300 -0.507 0.000 1.022 748 D CA 0.751 54.593 54.000 -0.264 0.000 0.868 748 D CB 0.338 40.932 40.800 -0.343 0.000 0.953 748 D HN 0.301 nan 8.370 nan 0.000 0.514 749 Y N -0.904 119.418 120.300 0.037 0.000 2.563 749 Y HA 0.333 4.883 4.550 -0.001 0.000 0.250 749 Y C 1.617 177.532 175.900 0.025 0.000 1.126 749 Y CA -0.109 58.010 58.100 0.031 0.000 1.231 749 Y CB 0.966 39.451 38.460 0.042 0.000 1.288 749 Y HN -0.041 nan 8.280 nan 0.000 0.537 750 G N 1.076 109.954 108.800 0.130 0.000 2.179 750 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.257 750 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.257 750 G C -0.237 174.720 174.900 0.095 0.000 1.010 750 G CA 0.378 45.530 45.100 0.087 0.000 0.736 750 G HN 0.141 nan 8.290 nan 0.000 0.513 751 V N 0.979 120.967 119.914 0.125 0.000 2.385 751 V HA 0.646 4.766 4.120 -0.001 0.000 0.269 751 V C 1.308 177.444 176.094 0.070 0.000 1.043 751 V CA 0.123 62.478 62.300 0.092 0.000 0.906 751 V CB 1.154 33.032 31.823 0.091 0.000 0.995 751 V HN 0.626 nan 8.190 nan 0.000 0.467 752 G N 3.931 112.762 108.800 0.052 0.000 2.562 752 G HA2 0.633 4.592 3.960 -0.001 0.000 0.275 752 G HA3 0.633 4.592 3.960 -0.001 0.000 0.275 752 G C -0.204 174.718 174.900 0.038 0.000 1.196 752 G CA 0.180 45.304 45.100 0.040 0.000 0.908 752 G HN 1.011 nan 8.290 nan 0.000 0.524 753 S N -0.734 114.982 115.700 0.026 0.000 2.567 753 S HA 0.483 4.952 4.470 -0.001 0.000 0.270 753 S C -2.010 172.584 174.600 -0.010 0.000 1.152 753 S CA -1.005 57.210 58.200 0.025 0.000 0.835 753 S CB 2.433 65.653 63.200 0.033 0.000 1.115 753 S HN 0.392 nan 8.310 nan 0.000 0.459 754 D N 1.264 121.656 120.400 -0.013 0.000 2.303 754 D HA 0.558 5.198 4.640 -0.001 0.000 0.236 754 D C -0.801 175.365 176.300 -0.224 0.000 1.068 754 D CA -0.185 53.721 54.000 -0.156 0.000 0.830 754 D CB 1.940 42.672 40.800 -0.114 0.000 1.109 754 D HN 0.440 nan 8.370 nan 0.000 0.496 755 V N 3.798 123.515 119.914 -0.329 0.000 2.398 755 V HA 0.342 4.461 4.120 -0.001 0.000 0.286 755 V C -0.783 175.077 176.094 -0.390 0.000 1.026 755 V CA -0.657 61.518 62.300 -0.208 0.000 0.868 755 V CB 0.601 32.375 31.823 -0.082 0.000 0.982 755 V HN 0.351 nan 8.190 nan 0.000 0.443 756 Y N 1.862 122.116 120.300 -0.077 0.000 2.429 756 Y HA 0.569 5.118 4.550 -0.001 0.000 0.342 756 Y C 0.509 176.265 175.900 -0.240 0.000 1.004 756 Y CA -0.695 57.298 58.100 -0.178 0.000 1.075 756 Y CB 2.115 40.490 38.460 -0.140 0.000 1.214 756 Y HN 0.535 nan 8.280 nan 0.000 0.455 757 S N 1.954 117.460 115.700 -0.322 0.000 2.457 757 S HA 0.596 5.065 4.470 -0.001 0.000 0.289 757 S C -1.081 173.362 174.600 -0.262 0.000 1.163 757 S CA -0.572 57.444 58.200 -0.306 0.000 1.078 757 S CB 0.226 63.187 63.200 -0.399 0.000 0.987 757 S HN 0.447 nan 8.310 nan 0.000 0.482 758 V N 6.041 125.830 119.914 -0.209 0.000 2.294 758 V HA 0.245 4.364 4.120 -0.001 0.000 0.272 758 V C 1.396 177.371 176.094 -0.199 0.000 1.027 758 V CA -0.277 61.819 62.300 -0.341 0.000 0.823 758 V CB 0.478 31.781 31.823 -0.867 0.000 1.030 758 V HN 1.073 nan 8.190 nan 0.000 0.457 759 T N -0.458 114.088 114.554 -0.012 0.000 3.088 759 T HA 0.055 4.405 4.350 -0.001 0.000 0.259 759 T C 0.770 175.566 174.700 0.161 0.000 1.122 759 T CA 0.649 62.835 62.100 0.144 0.000 1.095 759 T CB 0.224 69.267 68.868 0.291 0.000 0.930 759 T HN 0.574 nan 8.240 nan 0.000 0.508 760 S N -0.479 115.177 115.700 -0.074 0.000 2.357 760 S HA 0.403 4.872 4.470 -0.001 0.000 0.209 760 S C -0.237 174.181 174.600 -0.303 0.000 0.981 760 S CA -0.791 57.293 58.200 -0.193 0.000 1.106 760 S CB -0.517 62.440 63.200 -0.405 0.000 1.266 760 S HN 0.143 nan 8.310 nan 0.000 0.410 761 F N 2.270 121.993 119.950 -0.378 0.000 2.171 761 F HA -0.038 4.488 4.527 -0.001 0.000 0.300 761 F C 2.655 178.274 175.800 -0.301 0.000 1.090 761 F CA 1.859 59.585 58.000 -0.457 0.000 1.293 761 F CB -0.419 38.010 39.000 -0.952 0.000 1.013 761 F HN 0.499 nan 8.300 nan 0.000 0.486 762 T N -0.865 113.651 114.554 -0.063 0.000 2.777 762 T HA -0.149 4.200 4.350 -0.001 0.000 0.266 762 T C 1.867 176.505 174.700 -0.104 0.000 1.040 762 T CA 1.323 63.406 62.100 -0.029 0.000 1.141 762 T CB -0.158 68.739 68.868 0.048 0.000 0.868 762 T HN 0.113 nan 8.240 nan 0.000 0.444 763 E N 1.051 121.141 120.200 -0.184 0.000 2.150 763 E HA 0.011 4.361 4.350 -0.001 0.000 0.193 763 E C 2.280 178.793 176.600 -0.146 0.000 0.985 763 E CA 0.616 56.899 56.400 -0.195 0.000 0.814 763 E CB -0.357 29.182 29.700 -0.268 0.000 0.752 763 E HN 0.479 nan 8.360 nan 0.000 0.466 764 L N 0.198 121.346 121.223 -0.124 0.000 2.093 764 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 764 L C 2.513 179.308 176.870 -0.126 0.000 1.085 764 L CA 1.075 55.859 54.840 -0.094 0.000 0.755 764 L CB -0.511 41.503 42.059 -0.076 0.000 0.904 764 L HN 0.049 nan 8.230 nan 0.000 0.435 765 A N 0.233 123.010 122.820 -0.073 0.000 1.898 765 A HA -0.187 4.132 4.320 -0.001 0.000 0.216 765 A C 2.384 179.863 177.584 -0.175 0.000 1.181 765 A CA 1.350 53.355 52.037 -0.053 0.000 0.620 765 A CB -0.430 18.601 19.000 0.052 0.000 0.819 765 A HN 0.301 nan 8.150 nan 0.000 0.442 766 R N -0.667 119.752 120.500 -0.135 0.000 2.096 766 R HA -0.150 4.189 4.340 -0.001 0.000 0.235 766 R C 1.959 178.148 176.300 -0.185 0.000 1.127 766 R CA 1.599 57.618 56.100 -0.135 0.000 0.968 766 R CB -0.387 29.845 30.300 -0.113 0.000 0.861 766 R HN 0.726 nan 8.270 nan 0.000 0.440 767 D N -0.472 119.803 120.400 -0.209 0.000 2.117 767 D HA -0.090 4.549 4.640 -0.001 0.000 0.198 767 D C 1.961 178.066 176.300 -0.325 0.000 0.982 767 D CA 1.411 55.287 54.000 -0.207 0.000 0.828 767 D CB -0.163 40.547 40.800 -0.151 0.000 0.967 767 D HN 0.222 nan 8.370 nan 0.000 0.464 768 G N -0.324 108.107 108.800 -0.614 0.000 2.418 768 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.217 768 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.217 768 G C 1.594 175.981 174.900 -0.856 0.000 1.158 768 G CA 0.717 45.084 45.100 -1.222 0.000 0.771 768 G HN 0.338 nan 8.290 nan 0.000 0.545 769 Q N 0.129 119.595 119.800 -0.555 0.000 2.124 769 Q HA -0.085 4.255 4.340 -0.001 0.000 0.202 769 Q C 2.149 178.121 176.000 -0.047 0.000 0.977 769 Q CA 1.331 57.064 55.803 -0.117 0.000 0.850 769 Q CB -0.060 28.660 28.738 -0.029 0.000 0.901 769 Q HN 0.340 nan 8.270 nan 0.000 0.429 770 D N -0.034 120.314 120.400 -0.087 0.000 2.144 770 D HA -0.118 4.521 4.640 -0.001 0.000 0.200 770 D C 1.862 178.182 176.300 0.034 0.000 0.978 770 D CA 0.805 54.795 54.000 -0.018 0.000 0.833 770 D CB -0.347 40.420 40.800 -0.055 0.000 0.961 770 D HN 0.250 nan 8.370 nan 0.000 0.470 771 C N 0.974 120.257 119.300 -0.028 0.000 2.453 771 C HA -0.043 4.416 4.460 -0.001 0.000 0.277 771 C C 2.521 177.599 174.990 0.147 0.000 1.262 771 C CA 0.358 59.391 59.018 0.025 0.000 1.718 771 C CB -0.487 27.232 27.740 -0.035 0.000 2.031 771 C HN 0.335 nan 8.230 nan 0.000 0.480 772 E N 0.518 120.792 120.200 0.124 0.000 2.106 772 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 772 E C 2.285 178.983 176.600 0.165 0.000 0.984 772 E CA 0.756 57.259 56.400 0.171 0.000 0.806 772 E CB -0.470 29.361 29.700 0.218 0.000 0.750 772 E HN 0.635 nan 8.360 nan 0.000 0.458 773 R N -0.337 120.253 120.500 0.151 0.000 2.066 773 R HA -0.169 4.170 4.340 -0.001 0.000 0.232 773 R C 2.180 178.599 176.300 0.199 0.000 1.131 773 R CA 1.563 57.745 56.100 0.137 0.000 0.955 773 R CB -0.498 29.868 30.300 0.110 0.000 0.851 773 R HN 0.186 nan 8.270 nan 0.000 0.432 774 W N 2.187 123.528 121.300 0.068 0.000 2.355 774 W HA -0.172 4.488 4.660 -0.001 0.000 0.309 774 W C 1.738 178.368 176.519 0.186 0.000 1.206 774 W CA 1.793 59.218 57.345 0.132 0.000 1.284 774 W CB -0.294 29.177 29.460 0.018 0.000 1.145 774 W HN 0.172 nan 8.180 nan 0.000 0.502 775 N N 0.255 119.232 118.700 0.461 0.000 2.094 775 N HA -0.291 4.449 4.740 -0.001 0.000 0.191 775 N C 1.779 177.335 175.510 0.077 0.000 1.023 775 N CA 2.227 55.447 53.050 0.284 0.000 0.857 775 N CB -1.193 37.446 38.487 0.254 0.000 1.013 775 N HN 0.378 nan 8.380 nan 0.000 0.426 776 M N 0.310 119.950 119.600 0.067 0.000 2.159 776 M HA -0.080 4.399 4.480 -0.001 0.000 0.263 776 M C 1.370 177.620 176.300 -0.083 0.000 1.063 776 M CA 1.399 56.700 55.300 0.001 0.000 1.110 776 M CB 0.035 32.645 32.600 0.017 0.000 1.374 776 M HN 0.039 nan 8.290 nan 0.000 0.411 777 L N -0.959 120.184 121.223 -0.134 0.000 2.492 777 L HA -0.036 4.303 4.340 -0.001 0.000 0.223 777 L C 0.127 176.602 176.870 -0.658 0.000 1.132 777 L CA 0.330 54.972 54.840 -0.329 0.000 0.850 777 L CB -0.406 41.461 42.059 -0.320 0.000 0.966 777 L HN 0.372 nan 8.230 nan 0.000 0.454 778 H N -0.853 117.918 119.070 -0.499 0.000 2.336 778 H HA 0.165 4.721 4.556 -0.001 0.000 0.230 778 H C -1.629 173.509 175.328 -0.317 0.000 1.426 778 H CA -1.536 54.178 56.048 -0.557 0.000 1.359 778 H CB 0.336 29.389 29.762 -1.182 0.000 1.555 778 H HN -0.081 nan 8.280 nan 0.000 0.512 779 P HA -0.158 nan 4.420 nan 0.000 0.221 779 P C 0.854 178.138 177.300 -0.026 0.000 1.145 779 P CA 0.780 63.844 63.100 -0.061 0.000 0.795 779 P CB 0.632 32.292 31.700 -0.066 0.000 0.775 780 L N -1.019 120.185 121.223 -0.032 0.000 2.509 780 L HA 0.157 4.497 4.340 -0.001 0.000 0.222 780 L C 1.357 178.247 176.870 0.034 0.000 1.123 780 L CA 0.888 55.728 54.840 -0.000 0.000 0.856 780 L CB -1.049 41.006 42.059 -0.007 0.000 0.985 780 L HN -0.074 nan 8.230 nan 0.000 0.456 781 E N -0.594 119.636 120.200 0.050 0.000 2.254 781 E HA 0.253 4.602 4.350 -0.001 0.000 0.261 781 E C -0.127 176.575 176.600 0.170 0.000 1.051 781 E CA -0.306 56.174 56.400 0.133 0.000 0.902 781 E CB 0.665 30.495 29.700 0.216 0.000 1.168 781 E HN -0.106 nan 8.360 nan 0.000 0.423 782 T N 3.425 118.090 114.554 0.186 0.000 2.853 782 T HA 0.184 4.534 4.350 -0.001 0.000 0.298 782 T C -2.187 172.641 174.700 0.214 0.000 0.978 782 T CA -0.874 61.315 62.100 0.147 0.000 1.152 782 T CB 0.181 69.106 68.868 0.095 0.000 0.914 782 T HN 0.095 nan 8.240 nan 0.000 0.539 783 P HA 0.148 nan 4.420 nan 0.000 0.264 783 P C 0.057 177.426 177.300 0.114 0.000 1.193 783 P CA -0.098 63.116 63.100 0.190 0.000 0.763 783 P CB 0.484 32.258 31.700 0.123 0.000 0.810 784 R N 1.540 122.098 120.500 0.096 0.000 2.539 784 R HA 0.367 4.706 4.340 -0.001 0.000 0.275 784 R C -0.512 175.780 176.300 -0.013 0.000 1.077 784 R CA -0.719 55.342 56.100 -0.065 0.000 1.097 784 R CB 0.607 30.754 30.300 -0.255 0.000 1.018 784 R HN 0.246 nan 8.270 nan 0.000 0.483 785 V N 4.609 124.502 119.914 -0.036 0.000 2.394 785 V HA 0.236 4.356 4.120 -0.001 0.000 0.282 785 V C -2.040 174.042 176.094 -0.020 0.000 1.031 785 V CA -2.231 60.061 62.300 -0.014 0.000 0.881 785 V CB 1.378 33.189 31.823 -0.019 0.000 0.982 785 V HN 0.659 nan 8.190 nan 0.000 0.451 786 P HA 0.025 nan 4.420 nan 0.000 0.266 786 P C 0.281 177.582 177.300 0.001 0.000 1.195 786 P CA 0.079 63.160 63.100 -0.031 0.000 0.768 786 P CB 0.412 32.093 31.700 -0.031 0.000 0.838 787 Y N 3.639 123.879 120.300 -0.099 0.000 2.114 787 Y HA -0.232 4.318 4.550 -0.001 0.000 0.282 787 Y C 2.019 177.878 175.900 -0.068 0.000 1.165 787 Y CA 1.554 59.610 58.100 -0.073 0.000 1.148 787 Y CB -0.648 37.769 38.460 -0.071 0.000 0.972 787 Y HN 0.328 nan 8.280 nan 0.000 0.504 788 I N -0.262 120.272 120.570 -0.059 0.000 2.335 788 I HA -0.314 3.855 4.170 -0.001 0.000 0.251 788 I C 2.225 178.218 176.117 -0.206 0.000 1.129 788 I CA 1.659 62.864 61.300 -0.159 0.000 1.402 788 I CB -0.342 37.602 38.000 -0.094 0.000 1.069 788 I HN 0.318 nan 8.210 nan 0.000 0.424 789 A N -0.357 122.384 122.820 -0.133 0.000 2.066 789 A HA -0.166 4.154 4.320 -0.001 0.000 0.218 789 A C 2.158 179.659 177.584 -0.138 0.000 1.157 789 A CA 1.041 53.010 52.037 -0.113 0.000 0.670 789 A CB -0.372 18.601 19.000 -0.046 0.000 0.804 789 A HN 0.595 nan 8.150 nan 0.000 0.453 790 Q N -0.643 119.037 119.800 -0.198 0.000 2.137 790 Q HA -0.054 4.285 4.340 -0.001 0.000 0.198 790 Q C 2.016 177.876 176.000 -0.234 0.000 0.960 790 Q CA 1.438 57.117 55.803 -0.207 0.000 0.847 790 Q CB -0.133 28.452 28.738 -0.254 0.000 0.915 790 Q HN 0.498 nan 8.270 nan 0.000 0.448 791 V N 0.572 120.279 119.914 -0.345 0.000 2.407 791 V HA -0.112 4.007 4.120 -0.001 0.000 0.245 791 V C 1.415 177.461 176.094 -0.080 0.000 1.041 791 V CA 1.085 63.250 62.300 -0.226 0.000 1.040 791 V CB -0.167 31.476 31.823 -0.301 0.000 0.671 791 V HN 0.294 nan 8.190 nan 0.000 0.455 792 M N 0.600 120.078 119.600 -0.203 0.000 2.219 792 M HA 0.304 4.783 4.480 -0.001 0.000 0.280 792 M C 0.215 176.485 176.300 -0.051 0.000 1.189 792 M CA 0.037 55.223 55.300 -0.191 0.000 1.010 792 M CB 0.695 33.090 32.600 -0.341 0.000 1.422 792 M HN 0.487 nan 8.290 nan 0.000 0.504 793 N N -1.206 117.492 118.700 -0.002 0.000 3.091 793 N HA 0.295 5.035 4.740 -0.001 0.000 0.329 793 N C -0.721 174.790 175.510 0.002 0.000 1.430 793 N CA -0.772 52.286 53.050 0.012 0.000 0.755 793 N CB 0.385 38.901 38.487 0.048 0.000 1.626 793 N HN 0.585 nan 8.380 nan 0.000 0.614 794 D N -1.324 119.082 120.400 0.010 0.000 2.328 794 D HA 0.129 4.769 4.640 -0.001 0.000 0.226 794 D C 0.003 176.316 176.300 0.023 0.000 1.066 794 D CA -0.349 53.655 54.000 0.007 0.000 0.861 794 D CB -0.581 40.221 40.800 0.004 0.000 0.912 794 D HN 0.658 nan 8.370 nan 0.000 0.521 795 A N 2.213 125.056 122.820 0.038 0.000 2.462 795 A HA 0.358 4.678 4.320 -0.001 0.000 0.243 795 A C -2.068 175.550 177.584 0.057 0.000 1.076 795 A CA -1.106 50.960 52.037 0.048 0.000 0.773 795 A CB -0.142 18.894 19.000 0.061 0.000 1.010 795 A HN 0.086 nan 8.150 nan 0.000 0.493 796 P HA 0.147 nan 4.420 nan 0.000 0.261 796 P C -0.412 176.936 177.300 0.080 0.000 1.173 796 P CA 0.690 63.825 63.100 0.057 0.000 0.760 796 P CB 0.487 32.209 31.700 0.038 0.000 0.783 797 A N 3.540 126.428 122.820 0.113 0.000 2.365 797 A HA 0.666 4.986 4.320 -0.001 0.000 0.318 797 A C -0.802 176.833 177.584 0.085 0.000 1.091 797 A CA -0.664 51.465 52.037 0.153 0.000 0.763 797 A CB 1.557 20.719 19.000 0.270 0.000 1.248 797 A HN 0.335 nan 8.150 nan 0.000 0.442 798 V N 0.738 120.683 119.914 0.051 0.000 2.656 798 V HA 0.792 4.912 4.120 -0.001 0.000 0.307 798 V C 0.148 176.229 176.094 -0.022 0.000 1.051 798 V CA -0.199 62.072 62.300 -0.049 0.000 0.893 798 V CB 1.650 33.461 31.823 -0.020 0.000 0.999 798 V HN 1.403 nan 8.190 nan 0.000 0.426 799 A N 2.828 125.570 122.820 -0.130 0.000 2.401 799 A HA 0.939 5.258 4.320 -0.001 0.000 0.310 799 A C -0.567 176.988 177.584 -0.049 0.000 1.075 799 A CA -0.592 51.434 52.037 -0.020 0.000 0.746 799 A CB 2.112 21.100 19.000 -0.019 0.000 1.277 799 A HN 0.828 nan 8.150 nan 0.000 0.425 800 S N 0.078 115.800 115.700 0.038 0.000 2.548 800 S HA 0.840 5.309 4.470 -0.001 0.000 0.276 800 S C -0.443 174.212 174.600 0.092 0.000 1.129 800 S CA 0.300 58.514 58.200 0.024 0.000 0.931 800 S CB 1.425 64.638 63.200 0.023 0.000 1.068 800 S HN 1.905 nan 8.310 nan 0.000 0.480 801 T N 0.441 115.047 114.554 0.087 0.000 2.787 801 T HA 0.488 4.837 4.350 -0.001 0.000 0.297 801 T C -0.494 174.244 174.700 0.064 0.000 1.221 801 T CA -0.497 61.712 62.100 0.180 0.000 1.006 801 T CB 1.401 70.513 68.868 0.406 0.000 1.328 801 T HN 0.313 nan 8.240 nan 0.000 0.509 802 D N -0.569 119.843 120.400 0.020 0.000 2.319 802 D HA 0.265 4.905 4.640 -0.001 0.000 0.230 802 D C -0.790 175.135 176.300 -0.624 0.000 1.094 802 D CA 0.078 53.906 54.000 -0.288 0.000 0.856 802 D CB -0.301 40.303 40.800 -0.327 0.000 0.915 802 D HN 0.434 nan 8.370 nan 0.000 0.517 803 Y N -0.183 120.072 120.300 -0.076 0.000 2.587 803 Y HA 0.339 4.888 4.550 -0.001 0.000 0.337 803 Y C 0.874 176.737 175.900 -0.062 0.000 1.065 803 Y CA -1.499 56.536 58.100 -0.108 0.000 1.126 803 Y CB 0.791 39.116 38.460 -0.225 0.000 1.279 803 Y HN -0.191 nan 8.280 nan 0.000 0.489 804 M N 0.160 119.811 119.600 0.086 0.000 2.252 804 M HA 0.158 4.638 4.480 -0.001 0.000 0.321 804 M C 0.544 176.878 176.300 0.057 0.000 1.070 804 M CA 0.062 55.379 55.300 0.028 0.000 1.143 804 M CB 0.487 33.097 32.600 0.017 0.000 1.498 804 M HN 0.687 nan 8.290 nan 0.000 0.445 805 K N 0.798 121.191 120.400 -0.011 0.000 2.089 805 K HA -0.212 4.107 4.320 -0.001 0.000 0.210 805 K C 1.759 178.330 176.600 -0.048 0.000 1.048 805 K CA 1.678 57.935 56.287 -0.051 0.000 0.926 805 K CB -0.534 31.920 32.500 -0.077 0.000 0.714 805 K HN 0.639 nan 8.250 nan 0.000 0.448 806 L N 0.802 122.021 121.223 -0.007 0.000 2.129 806 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 806 L C 1.955 178.835 176.870 0.018 0.000 1.087 806 L CA 1.519 56.360 54.840 0.003 0.000 0.757 806 L CB -0.622 41.452 42.059 0.026 0.000 0.896 806 L HN 0.122 nan 8.230 nan 0.000 0.434 807 F N 0.181 120.063 119.950 -0.113 0.000 2.154 807 F HA -0.225 4.302 4.527 -0.001 0.000 0.301 807 F C 2.128 177.678 175.800 -0.416 0.000 1.087 807 F CA 1.557 59.462 58.000 -0.159 0.000 1.274 807 F CB -0.547 38.399 39.000 -0.090 0.000 1.009 807 F HN 0.171 nan 8.300 nan 0.000 0.485 808 A N -1.060 121.369 122.820 -0.651 0.000 2.063 808 A HA 0.083 4.402 4.320 -0.001 0.000 0.211 808 A C 2.047 179.372 177.584 -0.432 0.000 1.177 808 A CA 0.491 51.794 52.037 -1.224 0.000 0.759 808 A CB -0.502 17.879 19.000 -1.030 0.000 0.857 808 A HN 0.398 nan 8.150 nan 0.000 0.468 809 E N 0.394 120.477 120.200 -0.195 0.000 2.274 809 E HA -0.215 4.134 4.350 -0.001 0.000 0.194 809 E C 2.058 178.669 176.600 0.018 0.000 0.996 809 E CA 1.044 57.444 56.400 0.001 0.000 0.840 809 E CB -0.109 29.570 29.700 -0.035 0.000 0.772 809 E HN 0.893 nan 8.360 nan 0.000 0.491 810 Q N 0.325 120.106 119.800 -0.032 0.000 2.368 810 Q HA -0.127 4.212 4.340 -0.001 0.000 0.210 810 Q C 1.784 177.831 176.000 0.077 0.000 0.982 810 Q CA 1.599 57.413 55.803 0.019 0.000 0.884 810 Q CB -0.319 28.433 28.738 0.023 0.000 0.933 810 Q HN 0.291 nan 8.270 nan 0.000 0.460 811 V N -2.786 117.171 119.914 0.072 0.000 3.542 811 V HA 0.231 4.351 4.120 -0.001 0.000 0.296 811 V C 1.961 177.971 176.094 -0.140 0.000 1.364 811 V CA 0.302 62.680 62.300 0.130 0.000 1.118 811 V CB -0.085 31.836 31.823 0.163 0.000 0.972 811 V HN 0.108 nan 8.190 nan 0.000 0.430 812 R N 2.238 122.642 120.500 -0.161 0.000 2.112 812 R HA -0.176 4.163 4.340 -0.001 0.000 0.242 812 R C 2.063 178.143 176.300 -0.366 0.000 1.137 812 R CA 2.898 58.862 56.100 -0.226 0.000 0.944 812 R CB -1.640 28.636 30.300 -0.040 0.000 0.857 812 R HN 0.531 nan 8.270 nan 0.000 0.435 813 T N -0.070 114.159 114.554 -0.541 0.000 2.778 813 T HA -0.179 4.170 4.350 -0.001 0.000 0.269 813 T C 1.094 175.345 174.700 -0.747 0.000 1.050 813 T CA 1.881 63.551 62.100 -0.717 0.000 1.137 813 T CB -0.366 67.878 68.868 -1.039 0.000 0.860 813 T HN 0.364 nan 8.240 nan 0.000 0.468 814 Y N 0.155 120.386 120.300 -0.115 0.000 2.500 814 Y HA 0.358 4.908 4.550 -0.001 0.000 0.270 814 Y C 1.004 176.800 175.900 -0.174 0.000 1.134 814 Y CA -1.000 57.029 58.100 -0.119 0.000 1.293 814 Y CB -0.417 37.985 38.460 -0.097 0.000 1.063 814 Y HN -0.066 nan 8.280 nan 0.000 0.534 815 V N 5.731 125.506 119.914 -0.230 0.000 2.439 815 V HA 0.046 4.166 4.120 -0.001 0.000 0.271 815 V C -1.353 174.629 176.094 -0.186 0.000 1.040 815 V CA -1.212 60.910 62.300 -0.296 0.000 1.002 815 V CB 0.930 32.369 31.823 -0.640 0.000 1.000 815 V HN 0.139 nan 8.190 nan 0.000 0.477 816 P HA 0.169 nan 4.420 nan 0.000 0.269 816 P C -0.075 177.192 177.300 -0.055 0.000 1.461 816 P CA 0.271 63.325 63.100 -0.076 0.000 0.809 816 P CB 0.346 32.009 31.700 -0.061 0.000 1.503 817 A N -0.106 122.680 122.820 -0.056 0.000 2.356 817 A HA 0.451 4.770 4.320 -0.001 0.000 0.323 817 A C 0.866 178.449 177.584 -0.001 0.000 1.119 817 A CA -0.547 51.482 52.037 -0.013 0.000 0.790 817 A CB 1.004 20.014 19.000 0.015 0.000 1.273 817 A HN -0.184 nan 8.150 nan 0.000 0.452 818 D N 0.368 120.775 120.400 0.011 0.000 2.144 818 D HA -0.037 4.603 4.640 -0.001 0.000 0.200 818 D C -0.372 175.947 176.300 0.031 0.000 0.978 818 D CA 1.510 55.517 54.000 0.012 0.000 0.833 818 D CB 0.183 40.989 40.800 0.010 0.000 0.961 818 D HN 0.557 nan 8.370 nan 0.000 0.470 819 D N -0.588 119.841 120.400 0.050 0.000 2.278 819 D HA 0.173 4.813 4.640 -0.001 0.000 0.245 819 D C -0.840 175.543 176.300 0.139 0.000 1.052 819 D CA -0.441 53.598 54.000 0.065 0.000 0.834 819 D CB 1.706 42.529 40.800 0.038 0.000 1.194 819 D HN -0.028 nan 8.370 nan 0.000 0.481 820 Y N 2.051 122.334 120.300 -0.028 0.000 2.475 820 Y HA 0.256 4.805 4.550 -0.001 0.000 0.343 820 Y C -0.865 175.014 175.900 -0.035 0.000 1.068 820 Y CA -0.684 57.397 58.100 -0.031 0.000 1.307 820 Y CB 0.619 39.052 38.460 -0.044 0.000 1.097 820 Y HN 0.157 nan 8.280 nan 0.000 0.530 821 R N 3.902 124.226 120.500 -0.293 0.000 2.297 821 R HA 0.681 5.020 4.340 -0.001 0.000 0.308 821 R C -1.196 174.833 176.300 -0.453 0.000 1.029 821 R CA -0.857 55.069 56.100 -0.290 0.000 0.929 821 R CB 1.743 31.956 30.300 -0.144 0.000 1.046 821 R HN 0.346 nan 8.270 nan 0.000 0.461 822 V N 5.436 125.121 119.914 -0.383 0.000 2.540 822 V HA 0.398 4.517 4.120 -0.001 0.000 0.302 822 V C -0.131 175.841 176.094 -0.204 0.000 1.035 822 V CA -0.761 61.324 62.300 -0.359 0.000 0.873 822 V CB 1.838 33.427 31.823 -0.390 0.000 0.992 822 V HN 0.569 nan 8.190 nan 0.000 0.428 823 L N 3.929 125.055 121.223 -0.162 0.000 2.331 823 L HA 0.991 5.330 4.340 -0.001 0.000 0.275 823 L C 0.543 177.351 176.870 -0.103 0.000 1.022 823 L CA -0.221 54.547 54.840 -0.121 0.000 0.812 823 L CB 1.956 43.960 42.059 -0.091 0.000 1.257 823 L HN 0.819 nan 8.230 nan 0.000 0.435 824 G N -0.637 108.105 108.800 -0.097 0.000 2.608 824 G HA2 0.378 4.338 3.960 -0.001 0.000 0.291 824 G HA3 0.378 4.338 3.960 -0.001 0.000 0.291 824 G C -0.340 174.510 174.900 -0.083 0.000 1.425 824 G CA -0.170 44.885 45.100 -0.074 0.000 0.787 824 G HN 0.491 nan 8.290 nan 0.000 0.484 825 T N -0.981 113.484 114.554 -0.148 0.000 3.332 825 T HA 0.313 4.663 4.350 -0.001 0.000 0.246 825 T C -0.192 174.378 174.700 -0.217 0.000 0.943 825 T CA -0.309 61.607 62.100 -0.307 0.000 0.922 825 T CB -0.554 67.911 68.868 -0.671 0.000 1.086 825 T HN 0.292 nan 8.240 nan 0.000 0.590 826 D N 1.632 122.004 120.400 -0.048 0.000 2.449 826 D HA 0.478 5.117 4.640 -0.001 0.000 0.236 826 D C 1.048 177.395 176.300 0.079 0.000 1.149 826 D CA 1.423 55.402 54.000 -0.036 0.000 0.878 826 D CB 0.147 40.922 40.800 -0.042 0.000 1.198 826 D HN 0.745 nan 8.370 nan 0.000 0.446 827 G N -0.240 108.551 108.800 -0.015 0.000 2.515 827 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.686 827 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.686 827 G C -0.998 173.954 174.900 0.087 0.000 1.274 827 G CA -1.171 43.975 45.100 0.078 0.000 0.874 827 G HN 0.245 nan 8.290 nan 0.000 0.631 828 F N 1.334 121.411 119.950 0.212 0.000 2.429 828 F HA 0.535 5.061 4.527 -0.001 0.000 0.348 828 F C 1.625 177.615 175.800 0.316 0.000 1.109 828 F CA 1.064 59.173 58.000 0.182 0.000 1.232 828 F CB 1.144 40.211 39.000 0.112 0.000 1.157 828 F HN 0.756 nan 8.300 nan 0.000 0.564 829 G N 2.360 111.429 108.800 0.449 0.000 2.651 829 G HA2 0.560 4.519 3.960 -0.001 0.000 0.260 829 G HA3 0.560 4.519 3.960 -0.001 0.000 0.260 829 G C -0.694 174.373 174.900 0.278 0.000 1.216 829 G CA -0.681 44.651 45.100 0.386 0.000 0.913 829 G HN 0.782 nan 8.290 nan 0.000 0.535 830 R N -1.865 118.752 120.500 0.195 0.000 2.741 830 R HA 0.430 4.769 4.340 -0.001 0.000 0.276 830 R C -1.325 174.999 176.300 0.040 0.000 1.028 830 R CA -0.830 55.312 56.100 0.071 0.000 0.865 830 R CB 0.520 30.809 30.300 -0.018 0.000 1.268 830 R HN 0.398 nan 8.270 nan 0.000 0.475 831 S N 0.670 116.371 115.700 0.001 0.000 2.513 831 S HA 0.462 4.932 4.470 -0.001 0.000 0.276 831 S C -0.626 173.962 174.600 -0.019 0.000 1.254 831 S CA -0.268 57.926 58.200 -0.010 0.000 1.053 831 S CB 0.621 63.809 63.200 -0.020 0.000 0.958 831 S HN 0.572 nan 8.310 nan 0.000 0.491 832 D N -0.068 120.328 120.400 -0.006 0.000 2.871 832 D HA 0.109 4.748 4.640 -0.001 0.000 0.330 832 D C -0.851 175.457 176.300 0.013 0.000 1.364 832 D CA -0.353 53.645 54.000 -0.004 0.000 0.759 832 D CB 0.901 41.693 40.800 -0.014 0.000 1.325 832 D HN 0.543 nan 8.370 nan 0.000 0.452 833 S N -0.196 115.516 115.700 0.020 0.000 2.593 833 S HA 0.317 4.786 4.470 -0.001 0.000 0.269 833 S C 1.316 175.945 174.600 0.048 0.000 1.334 833 S CA -0.278 57.941 58.200 0.031 0.000 1.015 833 S CB 1.429 64.648 63.200 0.032 0.000 0.912 833 S HN 0.491 nan 8.310 nan 0.000 0.541 834 R N 0.704 121.236 120.500 0.053 0.000 2.105 834 R HA -0.128 4.211 4.340 -0.001 0.000 0.239 834 R C 2.354 178.697 176.300 0.072 0.000 1.135 834 R CA 1.736 57.873 56.100 0.062 0.000 0.967 834 R CB -0.393 29.951 30.300 0.074 0.000 0.861 834 R HN 0.892 nan 8.270 nan 0.000 0.442 835 E N 0.659 120.905 120.200 0.078 0.000 2.051 835 E HA -0.182 4.167 4.350 -0.001 0.000 0.192 835 E C 1.542 178.204 176.600 0.103 0.000 0.991 835 E CA 1.131 57.583 56.400 0.087 0.000 0.799 835 E CB 0.108 29.851 29.700 0.071 0.000 0.748 835 E HN 0.248 nan 8.360 nan 0.000 0.449 836 N N 0.468 119.219 118.700 0.085 0.000 2.188 836 N HA -0.123 4.617 4.740 -0.001 0.000 0.184 836 N C 1.920 177.514 175.510 0.140 0.000 1.018 836 N CA 0.759 53.870 53.050 0.101 0.000 0.858 836 N CB -0.183 38.334 38.487 0.051 0.000 0.989 836 N HN 0.234 nan 8.380 nan 0.000 0.426 837 L N 0.454 121.754 121.223 0.129 0.000 2.109 837 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 837 L C 2.169 179.197 176.870 0.264 0.000 1.086 837 L CA 0.858 55.820 54.840 0.205 0.000 0.760 837 L CB -0.165 42.028 42.059 0.222 0.000 0.910 837 L HN 0.101 nan 8.230 nan 0.000 0.437 838 R N -1.492 119.104 120.500 0.160 0.000 2.189 838 R HA -0.140 4.199 4.340 -0.001 0.000 0.218 838 R C 2.087 178.461 176.300 0.123 0.000 1.074 838 R CA 0.653 56.808 56.100 0.092 0.000 0.991 838 R CB -0.172 30.094 30.300 -0.057 0.000 0.883 838 R HN 0.319 nan 8.270 nan 0.000 0.457 839 H N -0.657 118.470 119.070 0.095 0.000 2.355 839 H HA -0.065 4.491 4.556 -0.001 0.000 0.303 839 H C 1.959 177.318 175.328 0.052 0.000 1.061 839 H CA 1.732 57.874 56.048 0.157 0.000 1.368 839 H CB 0.025 29.887 29.762 0.167 0.000 1.412 839 H HN 0.217 nan 8.280 nan 0.000 0.523 840 H N -0.746 118.301 119.070 -0.038 0.000 2.319 840 H HA -0.135 4.420 4.556 -0.001 0.000 0.299 840 H C 1.162 176.229 175.328 -0.435 0.000 1.092 840 H CA 2.077 57.974 56.048 -0.251 0.000 1.302 840 H CB -0.482 29.082 29.762 -0.331 0.000 1.373 840 H HN 0.308 nan 8.280 nan 0.000 0.497 841 F N 1.124 120.928 119.950 -0.244 0.000 2.811 841 F HA 0.097 4.624 4.527 -0.001 0.000 0.301 841 F C 0.387 175.912 175.800 -0.457 0.000 1.151 841 F CA 0.805 58.606 58.000 -0.332 0.000 1.412 841 F CB -0.276 38.635 39.000 -0.150 0.000 1.113 841 F HN 0.243 nan 8.300 nan 0.000 0.579 842 E N -0.665 119.190 120.200 -0.574 0.000 2.252 842 E HA -0.190 4.159 4.350 -0.001 0.000 0.218 842 E C 0.623 176.874 176.600 -0.581 0.000 1.253 842 E CA 0.493 56.172 56.400 -1.202 0.000 0.705 842 E CB -1.789 27.152 29.700 -1.265 0.000 1.172 842 E HN 0.414 nan 8.360 nan 0.000 0.369 843 V N -3.046 116.718 119.914 -0.251 0.000 3.398 843 V HA 0.082 4.202 4.120 -0.001 0.000 0.298 843 V C 0.668 176.753 176.094 -0.016 0.000 1.496 843 V CA 0.357 62.599 62.300 -0.097 0.000 1.044 843 V CB 0.122 31.894 31.823 -0.085 0.000 0.880 843 V HN 0.291 nan 8.190 nan 0.000 0.443 844 D N 1.408 121.841 120.400 0.054 0.000 2.414 844 D HA 0.477 5.117 4.640 -0.001 0.000 0.251 844 D C 1.622 177.993 176.300 0.118 0.000 1.252 844 D CA 0.384 54.436 54.000 0.086 0.000 0.999 844 D CB 1.206 42.099 40.800 0.155 0.000 1.093 844 D HN 0.179 nan 8.370 nan 0.000 0.515 845 A N 0.348 123.236 122.820 0.113 0.000 1.892 845 A HA -0.235 4.085 4.320 -0.001 0.000 0.218 845 A C 2.189 179.668 177.584 -0.175 0.000 1.188 845 A CA 3.198 55.239 52.037 0.007 0.000 0.631 845 A CB -1.534 17.471 19.000 0.008 0.000 0.822 845 A HN 0.729 nan 8.150 nan 0.000 0.447 846 S N -1.462 114.055 115.700 -0.306 0.000 2.383 846 S HA -0.237 4.232 4.470 -0.001 0.000 0.229 846 S C 1.871 176.171 174.600 -0.500 0.000 1.030 846 S CA 1.665 59.401 58.200 -0.774 0.000 1.002 846 S CB -0.846 61.954 63.200 -0.667 0.000 0.829 846 S HN 0.596 nan 8.310 nan 0.000 0.467 847 Y N 1.379 121.570 120.300 -0.182 0.000 2.286 847 Y HA 0.079 4.629 4.550 -0.001 0.000 0.293 847 Y C 2.763 178.603 175.900 -0.100 0.000 1.124 847 Y CA 0.835 58.863 58.100 -0.120 0.000 1.178 847 Y CB -0.398 37.991 38.460 -0.118 0.000 1.010 847 Y HN 0.130 nan 8.280 nan 0.000 0.536 848 V N -1.059 118.880 119.914 0.042 0.000 2.295 848 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 848 V C 2.172 178.248 176.094 -0.030 0.000 1.049 848 V CA 1.630 63.935 62.300 0.010 0.000 1.024 848 V CB -0.823 31.010 31.823 0.016 0.000 0.648 848 V HN 0.214 nan 8.190 nan 0.000 0.447 849 V N -0.304 119.560 119.914 -0.084 0.000 2.287 849 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 849 V C 2.429 178.485 176.094 -0.062 0.000 1.053 849 V CA 2.006 64.258 62.300 -0.080 0.000 1.027 849 V CB -0.503 31.259 31.823 -0.102 0.000 0.646 849 V HN 0.410 nan 8.190 nan 0.000 0.447 850 V N 0.203 120.093 119.914 -0.040 0.000 2.407 850 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 850 V C 2.652 178.735 176.094 -0.019 0.000 1.055 850 V CA 1.936 64.232 62.300 -0.007 0.000 1.049 850 V CB -1.028 30.791 31.823 -0.007 0.000 0.662 850 V HN 0.567 nan 8.190 nan 0.000 0.455 851 A N -0.144 122.671 122.820 -0.009 0.000 1.898 851 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 851 A C 2.414 179.982 177.584 -0.026 0.000 1.181 851 A CA 1.895 53.925 52.037 -0.011 0.000 0.620 851 A CB -0.663 18.331 19.000 -0.010 0.000 0.819 851 A HN 0.544 nan 8.150 nan 0.000 0.442 852 A N -0.152 122.648 122.820 -0.033 0.000 1.873 852 A HA 0.001 4.320 4.320 -0.001 0.000 0.215 852 A C 2.138 179.691 177.584 -0.051 0.000 1.186 852 A CA 1.409 53.426 52.037 -0.032 0.000 0.616 852 A CB -0.638 18.345 19.000 -0.027 0.000 0.823 852 A HN 0.453 nan 8.150 nan 0.000 0.442 853 L N -0.512 120.655 121.223 -0.094 0.000 2.131 853 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 853 L C 2.774 179.606 176.870 -0.063 0.000 1.092 853 L CA 0.994 55.763 54.840 -0.119 0.000 0.759 853 L CB -0.755 41.176 42.059 -0.213 0.000 0.903 853 L HN 0.499 nan 8.230 nan 0.000 0.435 854 G N -0.299 108.474 108.800 -0.045 0.000 2.422 854 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 854 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 854 G C 1.433 176.322 174.900 -0.018 0.000 1.146 854 G CA 0.570 45.655 45.100 -0.026 0.000 0.769 854 G HN 0.441 nan 8.290 nan 0.000 0.547 855 E N 0.071 120.261 120.200 -0.016 0.000 2.072 855 E HA 0.017 4.366 4.350 -0.001 0.000 0.190 855 E C 2.561 179.159 176.600 -0.003 0.000 0.982 855 E CA 0.385 56.782 56.400 -0.006 0.000 0.803 855 E CB -0.174 29.526 29.700 0.000 0.000 0.755 855 E HN 0.377 nan 8.360 nan 0.000 0.453 856 L N 0.778 121.997 121.223 -0.008 0.000 2.046 856 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 856 L C 2.619 179.488 176.870 -0.001 0.000 1.077 856 L CA 1.037 55.876 54.840 -0.002 0.000 0.747 856 L CB -0.515 41.540 42.059 -0.005 0.000 0.896 856 L HN 0.144 nan 8.230 nan 0.000 0.432 857 A N -0.107 122.709 122.820 -0.007 0.000 1.969 857 A HA -0.228 4.091 4.320 -0.001 0.000 0.218 857 A C 2.401 179.985 177.584 -0.001 0.000 1.169 857 A CA 1.687 53.722 52.037 -0.003 0.000 0.635 857 A CB -0.398 18.597 19.000 -0.008 0.000 0.810 857 A HN 0.319 nan 8.150 nan 0.000 0.445 858 K N -0.571 119.828 120.400 -0.002 0.000 2.217 858 K HA -0.061 4.259 4.320 -0.001 0.000 0.202 858 K C 2.028 178.629 176.600 0.003 0.000 1.051 858 K CA 1.021 57.308 56.287 -0.000 0.000 0.952 858 K CB -0.055 32.444 32.500 -0.001 0.000 0.736 858 K HN 0.442 nan 8.250 nan 0.000 0.453 859 R N -1.594 118.908 120.500 0.004 0.000 2.173 859 R HA 0.074 4.413 4.340 -0.001 0.000 0.208 859 R C 1.259 177.564 176.300 0.007 0.000 1.035 859 R CA 0.775 56.879 56.100 0.007 0.000 1.004 859 R CB 0.531 30.837 30.300 0.009 0.000 0.917 859 R HN 0.430 nan 8.270 nan 0.000 0.462 860 G N 0.126 108.930 108.800 0.008 0.000 2.284 860 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.201 860 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.201 860 G C 0.712 175.619 174.900 0.012 0.000 0.998 860 G CA 0.200 45.305 45.100 0.009 0.000 0.651 860 G HN 0.292 nan 8.290 nan 0.000 0.489 861 E N 0.330 120.539 120.200 0.014 0.000 2.086 861 E HA -0.032 4.318 4.350 -0.001 0.000 0.200 861 E C 1.566 178.179 176.600 0.023 0.000 1.012 861 E CA 1.885 58.296 56.400 0.019 0.000 0.812 861 E CB -0.080 29.632 29.700 0.019 0.000 0.743 861 E HN 0.933 nan 8.360 nan 0.000 0.453 862 I N -2.910 117.672 120.570 0.020 0.000 3.067 862 I HA 0.426 4.595 4.170 -0.001 0.000 0.312 862 I C -0.517 175.612 176.117 0.019 0.000 1.073 862 I CA -1.257 60.058 61.300 0.026 0.000 1.016 862 I CB 1.965 39.984 38.000 0.031 0.000 1.227 862 I HN -0.301 nan 8.210 nan 0.000 0.456 863 D N 1.627 122.042 120.400 0.025 0.000 2.345 863 D HA 0.181 4.820 4.640 -0.001 0.000 0.247 863 D C 0.679 176.987 176.300 0.013 0.000 1.108 863 D CA -0.115 53.896 54.000 0.018 0.000 0.894 863 D CB 1.358 42.170 40.800 0.021 0.000 1.203 863 D HN 0.535 nan 8.370 nan 0.000 0.430 864 K N 1.737 122.142 120.400 0.007 0.000 2.283 864 K HA -0.130 4.190 4.320 -0.001 0.000 0.202 864 K C 1.597 178.200 176.600 0.004 0.000 1.048 864 K CA 0.661 56.950 56.287 0.003 0.000 0.948 864 K CB 0.130 32.631 32.500 0.001 0.000 0.742 864 K HN 0.311 nan 8.250 nan 0.000 0.458 865 K N 1.152 121.556 120.400 0.008 0.000 2.211 865 K HA -0.097 4.222 4.320 -0.001 0.000 0.203 865 K C 1.873 178.481 176.600 0.014 0.000 1.050 865 K CA 0.972 57.264 56.287 0.007 0.000 0.945 865 K CB 0.167 32.671 32.500 0.007 0.000 0.732 865 K HN 0.110 nan 8.250 nan 0.000 0.451 866 V N -1.424 118.506 119.914 0.027 0.000 2.719 866 V HA -0.085 4.035 4.120 -0.001 0.000 0.252 866 V C 1.771 177.881 176.094 0.027 0.000 1.065 866 V CA 1.490 63.823 62.300 0.056 0.000 1.086 866 V CB 0.156 32.050 31.823 0.117 0.000 0.700 866 V HN 0.167 nan 8.190 nan 0.000 0.467 867 V N 1.044 120.956 119.914 -0.005 0.000 2.548 867 V HA 0.028 4.147 4.120 -0.001 0.000 0.249 867 V C 2.777 178.864 176.094 -0.012 0.000 1.055 867 V CA 2.180 64.466 62.300 -0.024 0.000 1.065 867 V CB -0.508 31.299 31.823 -0.026 0.000 0.681 867 V HN 0.668 nan 8.190 nan 0.000 0.462 868 A N -0.208 122.608 122.820 -0.007 0.000 1.898 868 A HA -0.199 4.121 4.320 -0.001 0.000 0.216 868 A C 1.861 179.432 177.584 -0.022 0.000 1.181 868 A CA 1.995 54.027 52.037 -0.009 0.000 0.620 868 A CB -0.779 18.218 19.000 -0.006 0.000 0.819 868 A HN 0.600 nan 8.150 nan 0.000 0.442 869 D N 0.019 120.405 120.400 -0.023 0.000 2.144 869 D HA 0.013 4.652 4.640 -0.001 0.000 0.200 869 D C 2.152 178.388 176.300 -0.106 0.000 0.978 869 D CA 1.409 55.381 54.000 -0.046 0.000 0.833 869 D CB -0.277 40.509 40.800 -0.024 0.000 0.961 869 D HN 0.425 nan 8.370 nan 0.000 0.470 870 A N 0.361 123.123 122.820 -0.096 0.000 1.930 870 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 870 A C 2.252 179.722 177.584 -0.191 0.000 1.175 870 A CA 0.696 52.585 52.037 -0.246 0.000 0.627 870 A CB -0.648 18.322 19.000 -0.051 0.000 0.815 870 A HN 0.192 nan 8.150 nan 0.000 0.443 871 I N -0.330 120.222 120.570 -0.030 0.000 2.286 871 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 871 I C 2.863 178.978 176.117 -0.004 0.000 1.115 871 I CA 1.060 62.370 61.300 0.018 0.000 1.392 871 I CB -0.204 37.799 38.000 0.005 0.000 1.065 871 I HN 0.387 nan 8.210 nan 0.000 0.418 872 A N 0.298 123.088 122.820 -0.051 0.000 1.898 872 A HA -0.177 4.142 4.320 -0.001 0.000 0.214 872 A C 2.372 179.909 177.584 -0.079 0.000 1.183 872 A CA 1.159 53.170 52.037 -0.043 0.000 0.622 872 A CB -0.401 18.573 19.000 -0.044 0.000 0.824 872 A HN 0.246 nan 8.150 nan 0.000 0.444 873 K N -1.246 119.036 120.400 -0.197 0.000 2.103 873 K HA -0.147 4.172 4.320 -0.001 0.000 0.207 873 K C 0.703 177.182 176.600 -0.201 0.000 1.048 873 K CA 1.487 57.604 56.287 -0.283 0.000 0.930 873 K CB -0.238 31.953 32.500 -0.515 0.000 0.716 873 K HN 0.424 nan 8.250 nan 0.000 0.444 874 F N 1.478 121.430 119.950 0.003 0.000 2.732 874 F HA 0.156 4.682 4.527 -0.001 0.000 0.303 874 F C 0.160 175.967 175.800 0.012 0.000 1.110 874 F CA -0.325 57.675 58.000 -0.001 0.000 1.355 874 F CB -0.381 38.601 39.000 -0.030 0.000 1.081 874 F HN 0.044 nan 8.300 nan 0.000 0.565 875 N N 1.259 120.046 118.700 0.145 0.000 2.725 875 N HA -0.236 4.504 4.740 -0.001 0.000 0.251 875 N C -0.429 175.211 175.510 0.217 0.000 1.031 875 N CA 0.555 53.676 53.050 0.118 0.000 0.720 875 N CB -1.518 37.004 38.487 0.058 0.000 0.930 875 N HN 0.320 nan 8.380 nan 0.000 0.543 876 I N 0.373 121.041 120.570 0.163 0.000 2.331 876 I HA 0.087 4.257 4.170 -0.001 0.000 0.292 876 I C 0.570 176.745 176.117 0.096 0.000 0.998 876 I CA -0.581 60.785 61.300 0.109 0.000 1.267 876 I CB 1.249 39.172 38.000 -0.128 0.000 1.386 876 I HN -0.090 nan 8.210 nan 0.000 0.476 877 D N 6.030 126.507 120.400 0.127 0.000 2.422 877 D HA 0.249 4.888 4.640 -0.001 0.000 0.227 877 D C 0.877 177.221 176.300 0.074 0.000 1.190 877 D CA -0.148 53.906 54.000 0.090 0.000 0.905 877 D CB 1.551 42.407 40.800 0.094 0.000 1.034 877 D HN 0.639 nan 8.370 nan 0.000 0.507 878 A N 3.768 126.620 122.820 0.054 0.000 2.125 878 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 878 A C 1.160 178.763 177.584 0.030 0.000 1.156 878 A CA 0.934 52.998 52.037 0.045 0.000 0.671 878 A CB 0.161 19.180 19.000 0.031 0.000 0.794 878 A HN 0.546 nan 8.150 nan 0.000 0.459 879 D N -0.189 120.227 120.400 0.027 0.000 2.501 879 D HA 0.081 4.720 4.640 -0.001 0.000 0.224 879 D C -0.079 176.229 176.300 0.013 0.000 1.202 879 D CA -0.092 53.917 54.000 0.016 0.000 0.829 879 D CB 0.258 41.067 40.800 0.015 0.000 1.023 879 D HN 0.689 nan 8.370 nan 0.000 0.499 880 K N 0.330 120.738 120.400 0.014 0.000 2.168 880 K HA 0.296 4.616 4.320 -0.001 0.000 0.258 880 K C 0.491 177.081 176.600 -0.017 0.000 1.010 880 K CA -0.625 55.666 56.287 0.006 0.000 0.929 880 K CB 1.721 34.228 32.500 0.012 0.000 0.998 880 K HN -0.231 nan 8.250 nan 0.000 0.479 881 V N 2.097 122.002 119.914 -0.014 0.000 2.901 881 V HA -0.097 4.022 4.120 -0.001 0.000 0.307 881 V C 0.267 176.325 176.094 -0.060 0.000 1.084 881 V CA -0.096 62.191 62.300 -0.023 0.000 1.184 881 V CB 0.455 32.276 31.823 -0.003 0.000 0.941 881 V HN 0.967 nan 8.190 nan 0.000 0.493 882 N N 6.407 125.074 118.700 -0.056 0.000 2.411 882 N HA 0.072 4.812 4.740 -0.001 0.000 0.261 882 N C -1.727 173.722 175.510 -0.101 0.000 1.248 882 N CA -0.851 52.149 53.050 -0.083 0.000 0.885 882 N CB 1.433 39.887 38.487 -0.055 0.000 1.062 882 N HN 0.449 nan 8.380 nan 0.000 0.471 883 P HA -0.165 nan 4.420 nan 0.000 0.217 883 P C 1.237 178.525 177.300 -0.020 0.000 1.148 883 P CA 1.223 64.190 63.100 -0.221 0.000 0.828 883 P CB 0.125 31.607 31.700 -0.364 0.000 0.783 884 R N -0.346 120.145 120.500 -0.016 0.000 2.127 884 R HA -0.119 4.221 4.340 -0.001 0.000 0.238 884 R C 1.399 177.712 176.300 0.022 0.000 1.134 884 R CA 1.258 57.355 56.100 -0.004 0.000 0.975 884 R CB -0.471 29.806 30.300 -0.037 0.000 0.865 884 R HN 0.119 nan 8.270 nan 0.000 0.447 885 L N 0.008 121.244 121.223 0.022 0.000 2.477 885 L HA 0.268 4.607 4.340 -0.001 0.000 0.220 885 L C 1.363 178.278 176.870 0.076 0.000 1.106 885 L CA 0.595 55.464 54.840 0.048 0.000 0.851 885 L CB -1.401 40.671 42.059 0.022 0.000 0.994 885 L HN 0.114 nan 8.230 nan 0.000 0.462 886 A N 0.000 122.864 122.820 0.073 0.000 2.254 886 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 886 A CA 0.000 52.093 52.037 0.093 0.000 0.836 886 A CB 0.000 19.077 19.000 0.128 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486